CID 28827257

2-amino-5-bromo-4-fluorobenzoic acid

Structural Information

Molecular Formula
C7H5BrFNO2
SMILES
C1=C(C(=CC(=C1Br)F)N)C(=O)O
InChI
InChI=1S/C7H5BrFNO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H,11,12)
InChIKey
RPHQHEBXMAGQKB-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

232.94878 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.95606 141.0
[M+Na]+ 255.93800 142.9
[M+NH4]+ 250.98260 144.5
[M+K]+ 271.91194 144.2
[M-H]- 231.94150 139.7
[M+Na-2H]- 253.92345 142.7
[M]+ 232.94823 139.4
[M]- 232.94933 139.4
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