CID 34697

Isodecyl diphenyl phosphate

Structural Information

Molecular Formula
C22H31O4P
SMILES
CC(C)CCCCCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C22H31O4P/c1-20(2)14-8-4-3-5-13-19-24-27(23,25-21-15-9-6-10-16-21)26-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3
InChIKey
RYUJRXVZSJCHDZ-UHFFFAOYSA-N
Compound name
8-methylnonyl diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3746
Patents

390.19598 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.20326 201.0
[M+Na]+ 413.18520 203.3
[M-H]- 389.18870 204.7
[M+NH4]+ 408.22980 212.1
[M+K]+ 429.15914 200.3
[M+H-H2O]+ 373.19324 189.2
[M+HCOO]- 435.19418 225.9
[M+CH3COO]- 449.20983 221.3
[M+Na-2H]- 411.17065 200.2
[M]+ 390.19543 207.7
[M]- 390.19653 207.7
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