CID 99411

Di-n-octylphosphinic acid

Structural Information

Molecular Formula
C16H35O2P
SMILES
CCCCCCCCP(=O)(CCCCCCCC)O
InChI
InChI=1S/C16H35O2P/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)
InChIKey
YTMRJBAHYSIRMZ-UHFFFAOYSA-N
Compound name
dioctylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1523
Patents

290.23746 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.24474 184.2
[M+Na]+ 313.22668 187.1
[M-H]- 289.23018 180.2
[M+NH4]+ 308.27128 200.0
[M+K]+ 329.20062 183.8
[M+H-H2O]+ 273.23472 176.1
[M+HCOO]- 335.23566 207.3
[M+CH3COO]- 349.25131 205.2
[M+Na-2H]- 311.21213 182.3
[M]+ 290.23691 190.8
[M]- 290.23801 190.8
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

No patent data available for this compound.