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

11
Patents

169.05391 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06119 131.1
[M+Na]+ 192.04313 139.5
[M-H]- 168.04663 132.8
[M+NH4]+ 187.08773 150.9
[M+K]+ 208.01707 137.4
[M+H-H2O]+ 152.05117 124.9
[M+HCOO]- 214.05211 154.1
[M+CH3COO]- 228.06776 179.5
[M+Na-2H]- 190.02858 136.4
[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

No literature data available for this compound.

Patent stripe

patents stripe