CID 14858

Alpha-hydroxybenzylphosphinic acid

Structural Information

Molecular Formula
C7H8O3P
SMILES
C1=CC=C(C=C1)C(O)[P+](=O)O
InChI
InChI=1S/C7H7O3P/c8-7(11(9)10)6-4-2-1-3-5-6/h1-5,7-8H/p+1
InChIKey
SMXKLAXZRQLJGH-UHFFFAOYSA-O
Compound name
hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20872
Patents

171.0211 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.028376 136.2
[M+Na]+ 194.010318 142.6
[M-H]- 170.013824 136.4
[M+NH4]+ 189.054923 155.1
[M+K]+ 209.984258 135.7
[M+H-H2O]+ 154.018360 131.6
[M+HCOO]- 216.019301 162.0
[M+CH3COO]- 230.034951 166.7
[M+Na-2H]- 191.995766 140.4
[M]+ 171.02055142 134.0
[M]- 171.02164858 134.0
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