CID 98449

[amino(phenyl)methyl]phosphonic acid

Structural Information

Molecular Formula
C7H10NO3P
SMILES
C1=CC=C(C=C1)C(N)P(=O)(O)O
InChI
InChI=1S/C7H10NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,8H2,(H2,9,10,11)
InChIKey
ZKFNOUUKULVDOB-UHFFFAOYSA-N
Compound name
[amino(phenyl)methyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

11842
Patents

187.03983 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04711 140.5
[M+Na]+ 210.02905 146.7
[M-H]- 186.03255 139.9
[M+NH4]+ 205.07365 158.5
[M+K]+ 226.00299 144.8
[M+H-H2O]+ 170.03709 133.0
[M+HCOO]- 232.03803 166.4
[M+CH3COO]- 246.05368 177.8
[M+Na-2H]- 208.01450 143.4
[M]+ 187.03928 137.8
[M]- 187.04038 137.8
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