CID 68105732

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 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

No literature data available for this compound.

Patent stripe

patents stripe