CID 13629073

Diisooctylphosphinic acid

Structural Information

Molecular Formula
C16H35O2P
SMILES
CC(C)CCCCCP(=O)(CCCCCC(C)C)O
InChI
InChI=1S/C16H35O2P/c1-15(2)11-7-5-9-13-19(17,18)14-10-6-8-12-16(3)4/h15-16H,5-14H2,1-4H3,(H,17,18)
InChIKey
GBNVBFGHGMAMDH-UHFFFAOYSA-N
Compound name
bis(6-methylheptyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

290.23746 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.24474 184.4
[M+Na]+ 313.22668 187.0
[M-H]- 289.23018 180.6
[M+NH4]+ 308.27128 200.2
[M+K]+ 329.20062 184.6
[M+H-H2O]+ 273.23472 176.6
[M+HCOO]- 335.23566 205.6
[M+CH3COO]- 349.25131 206.7
[M+Na-2H]- 311.21213 180.1
[M]+ 290.23691 189.7
[M]- 290.23801 189.7
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.