CID 84659911

3-amino-2-fluoro-4-methoxybenzoic acid

Structural Information

Molecular Formula
C8H8FNO3
SMILES
COC1=C(C(=C(C=C1)C(=O)O)F)N
InChI
InChI=1S/C8H8FNO3/c1-13-5-3-2-4(8(11)12)6(9)7(5)10/h2-3H,10H2,1H3,(H,11,12)
InChIKey
UTDWRGRDBYVCIF-UHFFFAOYSA-N
Compound name
3-amino-2-fluoro-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.04883 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05611 136.3
[M+Na]+ 208.03805 146.7
[M+NH4]+ 203.08265 142.6
[M+K]+ 224.01199 142.7
[M-H]- 184.04155 135.8
[M+Na-2H]- 206.02350 140.5
[M]+ 185.04828 137.2
[M]- 185.04938 137.2
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

No patent data available for this compound.