CID 12029255

(4-hydroxybenzyl)phosphonic acid

Structural Information

Molecular Formula
C7H9O4P
SMILES
C1=CC(=CC=C1CP(=O)(O)O)O
InChI
InChI=1S/C7H9O4P/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4,8H,5H2,(H2,9,10,11)
InChIKey
ZHBRSHSRMYZHLS-UHFFFAOYSA-N
Compound name
(4-hydroxyphenyl)methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

446
Patents

188.02385 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03113 139.5
[M+Na]+ 211.01307 147.2
[M-H]- 187.01657 138.4
[M+NH4]+ 206.05767 157.7
[M+K]+ 226.98701 144.9
[M+H-H2O]+ 171.02111 132.6
[M+HCOO]- 233.02205 164.6
[M+CH3COO]- 247.03770 173.4
[M+Na-2H]- 208.99852 143.4
[M]+ 188.02330 139.2
[M]- 188.02440 139.2
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