CID 8290

Octyl diphenyl phosphate

Structural Information

Molecular Formula
C20H27O4P
SMILES
CCCCCCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C20H27O4P/c1-2-3-4-5-6-13-18-22-25(21,23-19-14-9-7-10-15-19)24-20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3
InChIKey
YAFOVCNAQTZDQB-UHFFFAOYSA-N
Compound name
octyl diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

11524
Patents

362.1647 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17198 191.6
[M+Na]+ 385.15392 195.1
[M-H]- 361.15742 195.5
[M+NH4]+ 380.19852 203.8
[M+K]+ 401.12786 191.9
[M+H-H2O]+ 345.16196 180.0
[M+HCOO]- 407.16290 218.1
[M+CH3COO]- 421.17855 214.7
[M+Na-2H]- 383.13937 193.0
[M]+ 362.16415 198.1
[M]- 362.16525 198.1
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