PubChemLite - 31877-16-4 (C69H93O6P)

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(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/C69H93O6P/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)73-76(74-62-50(29-44(5)35-56(62)68(19,20)21)38-47-26-41(2)32-53(59(47)71)65(10,11)12)75-63-51(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

XDJMVQWHMUCIMI-UHFFFAOYSA-N

Compound name

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

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]+	1049.6783	294.5
[M+Na]+	1071.6602	315.0
[M-H]-	1047.6637	305.0
[M+NH4]+	1066.7048	303.6
[M+K]+	1087.6342	287.1
[M+H-H2O]+	1031.6683	277.5
[M+HCOO]-	1093.6692	304.4
[M+CH3COO]-	1107.6849	345.9
[M+Na-2H]-	1069.6457	323.2
[M]+	1048.6705	330.7
[M]-	1048.6715	330.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1049.6783

294.5

[M+Na]+

1071.6602

315.0

[M-H]-

1047.6637

305.0

[M+NH4]+

1066.7048

303.6

[M+K]+

1087.6342

287.1

[M+H-H2O]+

1031.6683

277.5

[M+HCOO]-

1093.6692

304.4

[M+CH3COO]-

1107.6849

345.9

[M+Na-2H]-

1069.6457

323.2

[M]+

1048.6705

330.7

[M]-

1048.6715

330.7

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

31877-16-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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