CID 214691

(3-hydroxyphenyl)phosphonic acid

Structural Information

Molecular Formula
C6H7O4P
SMILES
C1=CC(=CC(=C1)P(=O)(O)O)O
InChI
InChI=1S/C6H7O4P/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4,7H,(H2,8,9,10)
InChIKey
CHVHANKCBNWZMB-UHFFFAOYSA-N
Compound name
(3-hydroxyphenyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

174.0082 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01548 134.7
[M+Na]+ 196.99742 142.9
[M-H]- 173.00092 133.8
[M+NH4]+ 192.04202 153.5
[M+K]+ 212.97136 140.8
[M+H-H2O]+ 157.00546 128.0
[M+HCOO]- 219.00640 160.2
[M+CH3COO]- 233.02205 170.3
[M+Na-2H]- 194.98287 139.2
[M]+ 174.00765 134.1
[M]- 174.00875 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.