CID 511881

Phosphinecarboxylic acid, dihydroxy-, phenyl ester, oxide

Structural Information

Molecular Formula
C7H7O5P
SMILES
C1=CC=C(C=C1)OC(=O)P(=O)(O)O
InChI
InChI=1S/C7H7O5P/c8-7(13(9,10)11)12-6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)
InChIKey
QWTKOKXIYQZOTL-UHFFFAOYSA-N
Compound name
phenoxycarbonylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

202.00311 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01039 139.9
[M+Na]+ 224.99233 147.1
[M-H]- 200.99583 139.9
[M+NH4]+ 220.03693 157.8
[M+K]+ 240.96627 146.2
[M+H-H2O]+ 185.00037 132.5
[M+HCOO]- 247.00131 166.0
[M+CH3COO]- 261.01696 176.1
[M+Na-2H]- 222.97778 144.0
[M]+ 202.00256 141.2
[M]- 202.00366 141.2
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