CID 15295

Phenylphosphonic acid

Structural Information

Molecular Formula
C6H7O3P
SMILES
C1=CC=C(C=C1)P(=O)(O)O
InChI
InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKey
QLZHNIAADXEJJP-UHFFFAOYSA-N
Compound name
phenylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

99
References

38240
Patents

158.01328 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.020556 131.6
[M+Na]+ 181.002498 139.5
[M-H]- 157.006004 131.8
[M+NH4]+ 176.047103 151.6
[M+K]+ 196.976438 137.7
[M+H-H2O]+ 141.010540 124.8
[M+HCOO]- 203.011481 158.5
[M+CH3COO]- 217.027131 169.5
[M+Na-2H]- 178.987946 137.1
[M]+ 158.01273142 131.1
[M]- 158.01382858 131.1
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