CID 247572

2-bromo-3-nitrobenzamide

Structural Information

Molecular Formula
C7H5BrN2O3
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)N
InChI
InChI=1S/C7H5BrN2O3/c8-6-4(7(9)11)2-1-3-5(6)10(12)13/h1-3H,(H2,9,11)
InChIKey
TXFBJRKUCSPKPD-UHFFFAOYSA-N
Compound name
2-bromo-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

243.94835 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.95563 143.1
[M+Na]+ 266.93757 145.8
[M+NH4]+ 261.98217 147.0
[M+K]+ 282.91151 149.4
[M-H]- 242.94107 144.4
[M+Na-2H]- 264.92302 145.5
[M]+ 243.94780 142.4
[M]- 243.94890 142.4
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