CID 121811

Isooctyl diphenyl phosphate

Structural Information

Molecular Formula
C20H27O4P
SMILES
CC(C)CCCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C20H27O4P/c1-18(2)12-6-5-11-17-22-25(21,23-19-13-7-3-8-14-19)24-20-15-9-4-10-16-20/h3-4,7-10,13-16,18H,5-6,11-12,17H2,1-2H3
InChIKey
RCRYBQKHEDNBDN-UHFFFAOYSA-N
Compound name
6-methylheptyl diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

362.1647 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17198 188.1
[M+Na]+ 385.15392 199.3
[M+NH4]+ 380.19852 194.2
[M+K]+ 401.12786 192.4
[M-H]- 361.15742 190.4
[M+Na-2H]- 383.13937 194.9
[M]+ 362.16415 190.3
[M]- 362.16525 190.3
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