CID 117456

Methyl hydrogen octadecylphosphonate

Structural Information

Molecular Formula
C19H41O3P
SMILES
CCCCCCCCCCCCCCCCCCP(=O)(O)OC
InChI
InChI=1S/C19H41O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h3-19H2,1-2H3,(H,20,21)
InChIKey
OFTHYJZWGCWWPT-UHFFFAOYSA-N
Compound name
methoxy(octadecyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

348.27933 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.28661 200.5
[M+Na]+ 371.26855 202.1
[M-H]- 347.27205 195.8
[M+NH4]+ 366.31315 193.1
[M+K]+ 387.24249 198.5
[M+H-H2O]+ 331.27659 191.5
[M+HCOO]- 393.27753 211.0
[M+CH3COO]- 407.29318 216.1
[M+Na-2H]- 369.25400 197.2
[M]+ 348.27878 209.6
[M]- 348.27988 209.6
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