CID 5171030

N-o-fluorophenylglycine

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

630
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 133.2
[M+Na]+ 192.04313 143.6
[M+NH4]+ 187.08773 140.3
[M+K]+ 208.01707 138.5
[M-H]- 168.04663 133.3
[M+Na-2H]- 190.02858 138.8
[M]+ 169.05336 134.3
[M]- 169.05446 134.3
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

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