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

36101
Patents

158.01328 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02056 131.6
[M+Na]+ 181.00250 139.5
[M-H]- 157.00600 131.8
[M+NH4]+ 176.04710 151.6
[M+K]+ 196.97644 137.7
[M+H-H2O]+ 141.01054 124.8
[M+HCOO]- 203.01148 158.5
[M+CH3COO]- 217.02713 169.5
[M+Na-2H]- 178.98795 137.1
[M]+ 158.01273 131.1
[M]- 158.01383 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.