CID 120172

Bis(hydroxyphenylmethyl)phosphinic acid

Structural Information

Molecular Formula
C14H15O4P
SMILES
C1=CC=C(C=C1)C(O)P(=O)(C(C2=CC=CC=C2)O)O
InChI
InChI=1S/C14H15O4P/c15-13(11-7-3-1-4-8-11)19(17,18)14(16)12-9-5-2-6-10-12/h1-10,13-16H,(H,17,18)
InChIKey
YMIKTLVFXBBWKP-UHFFFAOYSA-N
Compound name
bis[hydroxy(phenyl)methyl]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

278.0708 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07808 164.4
[M+Na]+ 301.06002 168.6
[M-H]- 277.06352 165.5
[M+NH4]+ 296.10462 177.9
[M+K]+ 317.03396 165.4
[M+H-H2O]+ 261.06806 155.4
[M+HCOO]- 323.06900 186.5
[M+CH3COO]- 337.08465 191.1
[M+Na-2H]- 299.04547 165.4
[M]+ 278.07025 162.1
[M]- 278.07135 162.1
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.