CID 224152

Diheptadecyl phosphate

Structural Information

Molecular Formula
C34H71O4P
SMILES
CCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C34H71O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-39(35,36)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3,(H,35,36)
InChIKey
WOMBBIBNYSUCCH-UHFFFAOYSA-N
Compound name
diheptadecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

574.509 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.51628 252.4
[M+Na]+ 597.49822 254.0
[M-H]- 573.50172 234.0
[M+NH4]+ 592.54282 250.1
[M+K]+ 613.47216 254.7
[M+H-H2O]+ 557.50626 242.0
[M+HCOO]- 619.50720 262.1
[M+CH3COO]- 633.52285 261.4
[M+Na-2H]- 595.48367 232.3
[M]+ 574.50845 250.3
[M]- 574.50955 250.3
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