CID 586408

2-amino-3-fluorobenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

495
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 127.1
[M+Na]+ 178.02747 136.0
[M-H]- 154.03097 128.4
[M+NH4]+ 173.07207 147.1
[M+K]+ 194.00141 133.7
[M+H-H2O]+ 138.03551 121.1
[M+HCOO]- 200.03645 149.8
[M+CH3COO]- 214.05210 175.9
[M+Na-2H]- 176.01292 131.8
[M]+ 155.03770 123.8
[M]- 155.03880 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