CID 28974164

2-amino-5-fluoro-3-methylbenzoic acid

Structural Information

Molecular Formula
C8H8FNO2
SMILES
CC1=CC(=CC(=C1N)C(=O)O)F
InChI
InChI=1S/C8H8FNO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKey
MSZAAINDDMYZQK-UHFFFAOYSA-N
Compound name
2-amino-5-fluoro-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

169.05391 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06119 133.2
[M+Na]+ 192.04313 144.1
[M+NH4]+ 187.08773 140.1
[M+K]+ 208.01707 139.6
[M-H]- 168.04663 133.2
[M+Na-2H]- 190.02858 137.9
[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

No literature data available for this compound.

Patent stripe

patents stripe