CID 62147

Phosphorous acid, didodecyl 4-(1-(4-hydroxyphenyl)-1-methylethyl)phenyl ester

Structural Information

Molecular Formula
C39H65O4P
SMILES
CCCCCCCCCCCCOP(OCCCCCCCCCCCC)OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)O
InChI
InChI=1S/C39H65O4P/c1-5-7-9-11-13-15-17-19-21-23-33-41-44(42-34-24-22-20-18-16-14-12-10-8-6-2)43-38-31-27-36(28-32-38)39(3,4)35-25-29-37(40)30-26-35/h25-32,40H,5-24,33-34H2,1-4H3
InChIKey
VBQRJCUGJJZMHY-UHFFFAOYSA-N
Compound name
didodecyl [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] phosphite
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

628.46204 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.469316 278.0
[M+Na]+ 651.451258 273.6
[M-H]- 627.454764 277.3
[M+NH4]+ 646.495863 233.5
[M+K]+ 667.425198 267.0
[M+H-H2O]+ 611.459300 263.3
[M+HCOO]- 673.460241 250.1
[M+CH3COO]- 687.475891 270.7
[M+Na-2H]- 649.436706 266.7
[M]+ 628.46149142 289.9
[M]- 628.46258858 289.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe