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

206
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

literature stripe

Patent stripe

patents stripe