CID 89070227

2-amino-5-bromo-3-fluorobenzamide

Structural Information

Molecular Formula
C7H6BrFN2O
SMILES
C1=C(C=C(C(=C1C(=O)N)N)F)Br
InChI
InChI=1S/C7H6BrFN2O/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H2,11,12)
InChIKey
MYDZXUXXPYLZGR-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-3-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

231.96475 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97203 140.0
[M+Na]+ 254.95397 151.9
[M-H]- 230.95747 144.7
[M+NH4]+ 249.99857 160.6
[M+K]+ 270.92791 139.9
[M+H-H2O]+ 214.96201 138.1
[M+HCOO]- 276.96295 161.4
[M+CH3COO]- 290.97860 191.9
[M+Na-2H]- 252.93942 144.3
[M]+ 231.96420 154.1
[M]- 231.96530 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