CID 9856124

2-bromo-4-chloro-1-nitrobenzene

Structural Information

Molecular Formula
C6H3BrClNO2
SMILES
C1=CC(=C(C=C1Cl)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H3BrClNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H
InChIKey
VFMAPIFSXMBTQP-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

234.90356 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.91084 137.6
[M+Na]+ 257.89278 150.7
[M-H]- 233.89628 144.3
[M+NH4]+ 252.93738 159.4
[M+K]+ 273.86672 135.0
[M+H-H2O]+ 217.90082 143.2
[M+HCOO]- 279.90176 157.2
[M+CH3COO]- 293.91741 180.5
[M+Na-2H]- 255.87823 146.8
[M]+ 234.90301 157.2
[M]- 234.90411 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe