CID 17915148

3-amino-5-fluorobenzoic acid

Structural Information

Molecular Formula
C7H6FNO2
SMILES
C1=C(C=C(C=C1N)F)C(=O)O
InChI
InChI=1S/C7H6FNO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H,10,11)
InChIKey
RYLBYCHERDTVAY-UHFFFAOYSA-N
Compound name
3-amino-5-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

314
Patents

155.03825 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.045526 127.1
[M+Na]+ 178.027468 136.0
[M-H]- 154.030974 128.4
[M+NH4]+ 173.072073 147.1
[M+K]+ 194.001408 133.7
[M+H-H2O]+ 138.035510 121.1
[M+HCOO]- 200.036451 149.8
[M+CH3COO]- 214.052101 175.9
[M+Na-2H]- 176.012916 131.8
[M]+ 155.03770142 123.8
[M]- 155.03879858 123.8
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