53051-19-7 (C69H93O7P)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)OP(=O)(OC3=C(C=C(C=C3C(C)(C)C)C)CC4=C(C(=CC(=C4)C)C(C)(C)C)O)OC5=C(C=C(C=C5C(C)(C)C)C)CC6=C(C(=CC(=C6)C)C(C)(C)C)O

InChI

InChI=1S/C69H93O7P/c1-40-25-46(58(70)52(31-40)64(7,8)9)37-49-28-43(4)34-55(67(16,17)18)61(49)74-77(73,75-62-50(29-44(5)35-56(62)68(19,20)21)38-47-26-41(2)32-53(59(47)71)65(10,11)12)76-63-51(30-45(6)36-57(63)69(22,23)24)39-48-27-42(3)33-54(60(48)72)66(13,14)15/h25-36,70-72H,37-39H2,1-24H3

InChIKey

VNDGJFFQTUNAGE-UHFFFAOYSA-N

Compound name

tris[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] phosphate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1065.673176	293.4
[M+Na]+	1087.655118	313.9
[M-H]-	1063.658624	303.7
[M+NH4]+	1082.699723	302.3
[M+K]+	1103.629058	285.7
[M+H-H2O]+	1047.663160	276.6
[M+HCOO]-	1109.664101	303.1
[M+CH3COO]-	1123.679751	346.0
[M+Na-2H]-	1085.640566	321.0
[M]+	1064.66535142	326.9
[M]-	1064.66644858	326.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1065.673176

293.4

[M+Na]+

1087.655118

313.9

[M-H]-

1063.658624

303.7

[M+NH4]+

1082.699723

302.3

[M+K]+

1103.629058

285.7

[M+H-H2O]+

1047.663160

276.6

[M+HCOO]-

1109.664101

303.1

[M+CH3COO]-

1123.679751

346.0

[M+Na-2H]-

1085.640566

321.0

[M]+

1064.66535142

326.9

[M]-

1064.66644858

326.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

53051-19-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe