CID 223978

(4-aminobenzyl)phosphonic acid

Structural Information

Molecular Formula
C7H10NO3P
SMILES
C1=CC(=CC=C1CP(=O)(O)O)N
InChI
InChI=1S/C7H10NO3P/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChIKey
NEKHKXMBGWNTOO-UHFFFAOYSA-N
Compound name
(4-aminophenyl)methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

386
Patents

187.03983 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04711 140.1
[M+Na]+ 210.02905 147.4
[M-H]- 186.03255 139.8
[M+NH4]+ 205.07365 158.5
[M+K]+ 226.00299 145.0
[M+H-H2O]+ 170.03709 132.7
[M+HCOO]- 232.03803 166.9
[M+CH3COO]- 246.05368 178.2
[M+Na-2H]- 208.01450 143.6
[M]+ 187.03928 138.4
[M]- 187.04038 138.4
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.