CID 11816451

(4-phenylbutyl)phosphinic acid

Structural Information

Molecular Formula
C10H14O2P
SMILES
C1=CC=C(C=C1)CCCC[P+](=O)O
InChI
InChI=1S/C10H13O2P/c11-13(12)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2/p+1
InChIKey
PWXZGIVKGZBIBK-UHFFFAOYSA-O
Compound name
hydroxy-oxo-(4-phenylbutyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

197.07314 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.08042 147.3
[M+Na]+ 220.06236 153.2
[M-H]- 196.06586 148.3
[M+NH4]+ 215.10696 166.0
[M+K]+ 236.03630 145.5
[M+H-H2O]+ 180.07040 142.0
[M+HCOO]- 242.07134 174.4
[M+CH3COO]- 256.08699 175.8
[M+Na-2H]- 218.04781 151.5
[M]+ 197.07259 147.4
[M]- 197.07369 147.4
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