CID 6436357

Oleyl dihydrogen phosphate

Structural Information

Molecular Formula
C18H37O4P
SMILES
CCCCCCCC/C=C\CCCCCCCCOP(=O)(O)O
InChI
InChI=1S/C18H37O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21)/b10-9-
InChIKey
MEESPVWIOBCLJW-KTKRTIGZSA-N
Compound name
[(Z)-octadec-9-enyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3631
Patents

348.24295 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.25023 197.2
[M+Na]+ 371.23217 198.9
[M-H]- 347.23567 191.2
[M+NH4]+ 366.27677 187.5
[M+K]+ 387.20611 194.7
[M+H-H2O]+ 331.24021 188.5
[M+HCOO]- 393.24115 206.2
[M+CH3COO]- 407.25680 210.9
[M+Na-2H]- 369.21762 194.2
[M]+ 348.24240 204.6
[M]- 348.24350 204.6
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