CID 521142

2-amino-6-fluorobenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1316
Patents

155.03825 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04553 128.6
[M+Na]+ 178.02747 139.4
[M+NH4]+ 173.07207 135.8
[M+K]+ 194.00141 134.9
[M-H]- 154.03097 128.7
[M+Na-2H]- 176.01292 133.9
[M]+ 155.03770 129.8
[M]- 155.03880 129.8
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