CID 76290

Octadecyl dihydrogen phosphate

Structural Information

Molecular Formula
C18H39O4P
SMILES
CCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChI
InChI=1S/C18H39O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3,(H2,19,20,21)
InChIKey
UHGIMQLJWRAPLT-UHFFFAOYSA-N
Compound name
octadecyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

18750
Patents

350.2586 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.26588 198.7
[M+Na]+ 373.24782 200.1
[M-H]- 349.25132 192.7
[M+NH4]+ 368.29242 189.5
[M+K]+ 389.22176 196.5
[M+H-H2O]+ 333.25586 189.9
[M+HCOO]- 395.25680 207.7
[M+CH3COO]- 409.27245 212.5
[M+Na-2H]- 371.23327 195.7
[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

literature stripe

Patent stripe

patents stripe