CID 57822251

5-fluoro-2-(methylamino)benzoic acid

Structural Information

Molecular Formula
C8H8FNO2
SMILES
CNC1=C(C=C(C=C1)F)C(=O)O
InChI
InChI=1S/C8H8FNO2/c1-10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
InChIKey
MDWSHIHKYUGHSP-UHFFFAOYSA-N
Compound name
5-fluoro-2-(methylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

169.05391 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.061186 131.1
[M+Na]+ 192.043128 139.5
[M-H]- 168.046634 132.8
[M+NH4]+ 187.087733 150.9
[M+K]+ 208.017068 137.4
[M+H-H2O]+ 152.051170 124.9
[M+HCOO]- 214.052111 154.1
[M+CH3COO]- 228.067761 179.5
[M+Na-2H]- 190.028576 136.4
[M]+ 169.05336142 129.2
[M]- 169.05445858 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

No literature data available for this compound.

Patent stripe

patents stripe