CID 40424597

2-amino-5-bromo-3-fluorobenzoic acid

Structural Information

Molecular Formula
C7H5BrFNO2
SMILES
C1=C(C=C(C(=C1C(=O)O)N)F)Br
InChI
InChI=1S/C7H5BrFNO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
InChIKey
CLJZODGTJUYULK-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-3-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
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 138.7
[M+Na]+ 255.93800 151.0
[M-H]- 231.94150 142.7
[M+NH4]+ 250.98260 159.2
[M+K]+ 271.91194 139.3
[M+H-H2O]+ 215.94604 137.7
[M+HCOO]- 277.94698 158.6
[M+CH3COO]- 291.96263 187.4
[M+Na-2H]- 253.92345 143.4
[M]+ 232.94823 154.1
[M]- 232.94933 154.1
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