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]+ 263.94216 147.0
[M+Na]+ 285.92410 159.0
[M-H]- 261.92760 153.4
[M+NH4]+ 280.96870 167.7
[M+K]+ 301.89804 143.2
[M+H-H2O]+ 245.93214 152.3
[M+HCOO]- 307.93308 165.0
[M+CH3COO]- 321.94873 186.8
[M+Na-2H]- 283.90955 154.0
[M]+ 262.93433 166.7
[M]- 262.93543 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.