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

37
Patents

185.04883 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.056106 134.3
[M+Na]+ 208.038048 143.5
[M-H]- 184.041554 135.8
[M+NH4]+ 203.082653 153.3
[M+K]+ 224.011988 141.6
[M+H-H2O]+ 168.046090 128.0
[M+HCOO]- 230.047031 156.8
[M+CH3COO]- 244.062681 182.4
[M+Na-2H]- 206.023496 137.8
[M]+ 185.04828142 133.1
[M]- 185.04937858 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