CID 75396

3-amino-4-fluorobenzoic acid

Structural Information

Molecular Formula
C7H6FNO2
SMILES
C1=CC(=C(C=C1C(=O)O)N)F
InChI
InChI=1S/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
InChIKey
WFSPEVFSRUTRCN-UHFFFAOYSA-N
Compound name
3-amino-4-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

494
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

No literature data available for this compound.

Patent stripe

patents stripe