CID 6453410

Formaldehyde-trisnonylphenyl phosphite

Structural Information

Molecular Formula
C42H63O3P
SMILES
CCCCCCCCCC1=CC=CC=C1OP(OC2=CC=CC=C2CCCCCC)OC3=CC=CC=C3CCCCCCCCC
InChI
InChI=1S/C42H63O3P/c1-4-7-10-13-15-17-20-29-38-32-23-26-35-41(38)44-46(43-40-34-25-22-31-37(40)28-19-12-9-6-3)45-42-36-27-24-33-39(42)30-21-18-16-14-11-8-5-2/h22-27,31-36H,4-21,28-30H2,1-3H3
InChIKey
MCRKQTXVZQRALU-UHFFFAOYSA-N
Compound name
(2-hexylphenyl) bis(2-nonylphenyl) phosphite
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

646.4515 Da
Monoisotopic Mass

17.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.45878 281.3
[M+Na]+ 669.44072 277.4
[M-H]- 645.44422 284.7
[M+NH4]+ 664.48532 281.3
[M+K]+ 685.41466 269.4
[M+H-H2O]+ 629.44876 264.1
[M+HCOO]- 691.44970 300.8
[M+CH3COO]- 705.46535 275.8
[M+Na-2H]- 667.42617 268.5
[M]+ 646.45095 291.7
[M]- 646.45205 291.7
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

No patent data available for this compound.