CID 265434

7292-74-2

Structural Information

Molecular Formula
C8H8FNO2
SMILES
C1=CC(=CC(=C1)F)C(C(=O)O)N
InChI
InChI=1S/C8H8FNO2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
InChIKey
LVYBCZIDQKJNFP-UHFFFAOYSA-N
Compound name
2-amino-2-(3-fluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

204
Patents

169.05391 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06119 133.5
[M+Na]+ 192.04313 143.3
[M+NH4]+ 187.08773 140.3
[M+K]+ 208.01707 139.2
[M-H]- 168.04663 133.2
[M+Na-2H]- 190.02858 138.3
[M]+ 169.05336 134.4
[M]- 169.05446 134.4
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