CID 91426867

109647-71-4

Structural Information

Molecular Formula
C19H39O3P
SMILES
CCCCCCCCC=CCCCCCCCCP(=O)(O)OC
InChI
InChI=1S/C19H39O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h10-11H,3-9,12-19H2,1-2H3,(H,20,21)
InChIKey
NIEGMZIWZZXIRN-UHFFFAOYSA-N
Compound name
methoxy(octadec-9-enyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

346.26367 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.27095 198.8
[M+Na]+ 369.25289 200.8
[M-H]- 345.25639 194.2
[M+NH4]+ 364.29749 191.1
[M+K]+ 385.22683 196.6
[M+H-H2O]+ 329.26093 190.0
[M+HCOO]- 391.26187 209.6
[M+CH3COO]- 405.27752 214.6
[M+Na-2H]- 367.23834 195.6
[M]+ 346.26312 207.2
[M]- 346.26422 207.2
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