CID 9863244

Phosphoric acid, isooctadecyl ester

Structural Information

Molecular Formula
C18H39O4P
SMILES
CC(C)CCCCCCCCCCCCCCCOP(=O)(O)O
InChI
InChI=1S/C18H39O4P/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-23(19,20)21/h18H,3-17H2,1-2H3,(H2,19,20,21)
InChIKey
SUQPHYAFSSXBNB-UHFFFAOYSA-N
Compound name
16-methylheptadecyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

843
Patents

350.2586 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.26588 199.3
[M+Na]+ 373.24782 200.5
[M-H]- 349.25132 193.4
[M+NH4]+ 368.29242 190.5
[M+K]+ 389.22176 197.4
[M+H-H2O]+ 333.25586 190.6
[M+HCOO]- 395.25680 204.9
[M+CH3COO]- 409.27245 213.2
[M+Na-2H]- 371.23327 195.0
[M]+ 350.25805 206.9
[M]- 350.25915 206.9
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.