CID 470323

4-amino-5-fluoro-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H6FNO3
SMILES
C1=C(C(=CC(=C1F)N)O)C(=O)O
InChI
InChI=1S/C7H6FNO3/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2,10H,9H2,(H,11,12)
InChIKey
VEAKICTWBOTIQF-UHFFFAOYSA-N
Compound name
4-amino-5-fluoro-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

171.03317 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04045 130.3
[M+Na]+ 194.02239 139.6
[M-H]- 170.02589 130.6
[M+NH4]+ 189.06699 149.2
[M+K]+ 209.99633 137.0
[M+H-H2O]+ 154.03043 124.5
[M+HCOO]- 216.03137 151.7
[M+CH3COO]- 230.04702 176.9
[M+Na-2H]- 192.00784 133.8
[M]+ 171.03262 126.9
[M]- 171.03372 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe