CID 14440923

Isooctyl diphenyl phosphite

Structural Information

Molecular Formula
C20H27O3P
SMILES
CC(C)CCCCCOP(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C20H27O3P/c1-18(2)12-6-5-11-17-21-24(22-19-13-7-3-8-14-19)23-20-15-9-4-10-16-20/h3-4,7-10,13-16,18H,5-6,11-12,17H2,1-2H3
InChIKey
YEQHNTCMAVPEKP-UHFFFAOYSA-N
Compound name
6-methylheptyl diphenyl phosphite
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1797
Patents

346.16977 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17705 189.7
[M+Na]+ 369.15899 192.0
[M-H]- 345.16249 193.5
[M+NH4]+ 364.20359 202.5
[M+K]+ 385.13293 189.4
[M+H-H2O]+ 329.16703 178.0
[M+HCOO]- 391.16797 215.5
[M+CH3COO]- 405.18362 214.5
[M+Na-2H]- 367.14444 187.5
[M]+ 346.16922 194.8
[M]- 346.17032 194.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe