CID 89875885

6-amino-3-fluoro-2-methylbenzoic acid

Structural Information

Molecular Formula
C8H8FNO2
SMILES
CC1=C(C=CC(=C1C(=O)O)N)F
InChI
InChI=1S/C8H8FNO2/c1-4-5(9)2-3-6(10)7(4)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKey
ISXJYNZLKZTCQE-UHFFFAOYSA-N
Compound name
6-amino-3-fluoro-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

169.05391 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.061186 131.3
[M+Na]+ 192.043128 140.7
[M-H]- 168.046634 132.9
[M+NH4]+ 187.087733 151.2
[M+K]+ 208.017068 138.3
[M+H-H2O]+ 152.051170 125.4
[M+HCOO]- 214.052111 153.7
[M+CH3COO]- 228.067761 180.2
[M+Na-2H]- 190.028576 134.8
[M]+ 169.05336142 128.8
[M]- 169.05445858 128.8
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