CID 67469338

4-amino-5-fluoro-2-methoxybenzoic acid

Structural Information

Molecular Formula
C8H8FNO3
SMILES
COC1=CC(=C(C=C1C(=O)O)F)N
InChI
InChI=1S/C8H8FNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKey
ZTOPBBGXEHAMTD-UHFFFAOYSA-N
Compound name
4-amino-5-fluoro-2-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

185.04883 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05611 134.3
[M+Na]+ 208.03805 143.5
[M-H]- 184.04155 135.8
[M+NH4]+ 203.08265 153.3
[M+K]+ 224.01199 141.6
[M+H-H2O]+ 168.04609 128.0
[M+HCOO]- 230.04703 156.8
[M+CH3COO]- 244.06268 182.4
[M+Na-2H]- 206.02350 137.8
[M]+ 185.04828 133.1
[M]- 185.04938 133.1
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