CID 81312

Benzylphosphonic acid

Structural Information

Molecular Formula
C7H9O3P
SMILES
C1=CC=C(C=C1)CP(=O)(O)O
InChI
InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
InChIKey
OGBVRMYSNSKIEF-UHFFFAOYSA-N
Compound name
benzylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

14248
Patents

172.02893 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03621 136.4
[M+Na]+ 195.01815 143.8
[M-H]- 171.02165 136.4
[M+NH4]+ 190.06275 155.8
[M+K]+ 210.99209 141.8
[M+H-H2O]+ 155.02619 129.4
[M+HCOO]- 217.02713 163.0
[M+CH3COO]- 231.04278 172.5
[M+Na-2H]- 193.00360 141.4
[M]+ 172.02838 136.3
[M]- 172.02948 136.3
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