CID 5171030

(2-fluoroanilino)acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

733
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 131.5
[M+Na]+ 192.04313 139.0
[M-H]- 168.04663 132.8
[M+NH4]+ 187.08773 150.9
[M+K]+ 208.01707 136.8
[M+H-H2O]+ 152.05117 125.0
[M+HCOO]- 214.05211 154.5
[M+CH3COO]- 228.06776 178.4
[M+Na-2H]- 190.02858 137.5
[M]+ 169.05336 129.2
[M]- 169.05446 129.2
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