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

9
Patents

243.94835 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.955626 141.6
[M+Na]+ 266.937568 152.2
[M-H]- 242.941074 147.7
[M+NH4]+ 261.982173 161.1
[M+K]+ 282.911508 137.6
[M+H-H2O]+ 226.945610 144.8
[M+HCOO]- 288.946551 164.8
[M+CH3COO]- 302.962201 185.0
[M+Na-2H]- 264.923016 148.9
[M]+ 243.94780142 157.7
[M]- 243.94889858 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