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]+ 629.46932 278.0
[M+Na]+ 651.45126 273.6
[M-H]- 627.45476 277.3
[M+NH4]+ 646.49586 233.5
[M+K]+ 667.42520 267.0
[M+H-H2O]+ 611.45930 263.3
[M+HCOO]- 673.46024 250.1
[M+CH3COO]- 687.47589 270.7
[M+Na-2H]- 649.43671 266.7
[M]+ 628.46149 289.9
[M]- 628.46259 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