CID 68105763

5-amino-2-fluoro-3-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H6FNO3
SMILES
C1=C(C=C(C(=C1C(=O)O)F)O)N
InChI
InChI=1S/C7H6FNO3/c8-6-4(7(11)12)1-3(9)2-5(6)10/h1-2,10H,9H2,(H,11,12)
InChIKey
MTWVJKPFMPPDPV-UHFFFAOYSA-N
Compound name
5-amino-2-fluoro-3-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

171.03317 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04045 132.0
[M+Na]+ 194.02239 142.0
[M+NH4]+ 189.06699 138.1
[M+K]+ 209.99633 138.6
[M-H]- 170.02589 131.0
[M+Na-2H]- 192.00784 135.9
[M]+ 171.03262 132.7
[M]- 171.03372 132.7
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