CID 107470422

4-(1-bromoethyl)-1-chloro-2-nitrobenzene

Structural Information

Molecular Formula
C8H7BrClNO2
SMILES
CC(C1=CC(=C(C=C1)Cl)[N+](=O)[O-])Br
InChI
InChI=1S/C8H7BrClNO2/c1-5(9)6-2-3-7(10)8(4-6)11(12)13/h2-5H,1H3
InChIKey
VWNQDGPQVYSRLB-UHFFFAOYSA-N
Compound name
4-(1-bromoethyl)-1-chloro-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.93488 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.942156 147.0
[M+Na]+ 285.924098 159.0
[M-H]- 261.927604 153.4
[M+NH4]+ 280.968703 167.7
[M+K]+ 301.898038 143.2
[M+H-H2O]+ 245.932140 152.3
[M+HCOO]- 307.933081 165.0
[M+CH3COO]- 321.948731 186.8
[M+Na-2H]- 283.909546 154.0
[M]+ 262.93433142 166.7
[M]- 262.93542858 166.7
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

No patent data available for this compound.