CID 14647151

Hexadecanoyl phosphate

Structural Information

Molecular Formula
C16H33O5P
SMILES
CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O
InChI
InChI=1S/C16H33O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)21-22(18,19)20/h2-15H2,1H3,(H2,18,19,20)
InChIKey
KUIJPSLAGAQZTC-UHFFFAOYSA-N
Compound name
phosphono hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

336.20657 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21385 190.5
[M+Na]+ 359.19579 192.8
[M-H]- 335.19929 185.0
[M+NH4]+ 354.24039 184.6
[M+K]+ 375.16973 190.2
[M+H-H2O]+ 319.20383 182.1
[M+HCOO]- 381.20477 199.5
[M+CH3COO]- 395.22042 207.7
[M+Na-2H]- 357.18124 187.6
[M]+ 336.20602 198.0
[M]- 336.20712 198.0
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