PubChemLite - 68922-23-6 (C45H69O3P)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)OP(OC2=C(C=C(C(=C2)C)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C(=C3)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C45H69O3P/c1-28-22-37(34(43(13,14)15)25-31(28)40(4,5)6)46-49(47-38-23-29(2)32(41(7,8)9)26-35(38)44(16,17)18)48-39-24-30(3)33(42(10,11)12)27-36(39)45(19,20)21/h22-27H,1-21H3

InChIKey

LTXMJHWSYUANCC-UHFFFAOYSA-N

Compound name

tris(2,4-ditert-butyl-5-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]+	689.50568	269.7
[M+Na]+	711.48762	272.2
[M-H]-	687.49112	277.6
[M+NH4]+	706.53222	244.3
[M+K]+	727.46156	271.3
[M+H-H2O]+	671.49566	258.4
[M+HCOO]-	733.49660	279.3
[M+CH3COO]-	747.51225	289.9
[M+Na-2H]-	709.47307	265.0
[M]+	688.49785	280.4
[M]-	688.49895	280.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

689.50568

269.7

[M+Na]+

711.48762

272.2

[M-H]-

687.49112

277.6

[M+NH4]+

706.53222

244.3

[M+K]+

727.46156

271.3

[M+H-H2O]+

671.49566

258.4

[M+HCOO]-

733.49660

279.3

[M+CH3COO]-

747.51225

289.9

[M+Na-2H]-

709.47307

265.0

[M]+

688.49785

280.4

[M]-

688.49895

280.4

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

68922-23-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe