CID 79477

(3-aminophenyl)phosphonic acid

Structural Information

Molecular Formula
C6H8NO3P
SMILES
C1=CC(=CC(=C1)P(=O)(O)O)N
InChI
InChI=1S/C6H8NO3P/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChIKey
MZZQBSHNCYWSTL-UHFFFAOYSA-N
Compound name
(3-aminophenyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

353
Patents

173.02419 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03147 134.4
[M+Na]+ 196.01341 144.2
[M+NH4]+ 191.05801 141.0
[M+K]+ 211.98735 141.0
[M-H]- 172.01691 134.1
[M+Na-2H]- 193.99886 139.0
[M]+ 173.02364 135.3
[M]- 173.02474 135.3
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