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 141.6
[M+Na]+ 266.93757 152.2
[M-H]- 242.94107 147.7
[M+NH4]+ 261.98217 161.1
[M+K]+ 282.91151 137.6
[M+H-H2O]+ 226.94561 144.8
[M+HCOO]- 288.94655 164.8
[M+CH3COO]- 302.96220 185.0
[M+Na-2H]- 264.92302 148.9
[M]+ 243.94780 157.7
[M]- 243.94890 157.7
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