CID 157898

Bis(2,4,4-trimethylpentyl)phosphinic acid

Structural Information

Molecular Formula
C16H35O2P
SMILES
CC(CC(C)(C)C)CP(=O)(CC(C)CC(C)(C)C)O
InChI
InChI=1S/C16H35O2P/c1-13(9-15(3,4)5)11-19(17,18)12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3,(H,17,18)
InChIKey
QUXFOKCUIZCKGS-UHFFFAOYSA-N
Compound name
bis(2,4,4-trimethylpentyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

2931
Patents

290.23746 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.244736 181.0
[M+Na]+ 313.226678 184.7
[M-H]- 289.230184 178.2
[M+NH4]+ 308.271283 197.3
[M+K]+ 329.200618 183.5
[M+H-H2O]+ 273.234720 174.9
[M+HCOO]- 335.235661 199.3
[M+CH3COO]- 349.251311 206.3
[M+Na-2H]- 311.212126 179.6
[M]+ 290.23691142 185.2
[M]- 290.23800858 185.2
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