CID 18370392

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

Structural Information

Molecular Formula
C8H7Br2NO2
SMILES
C1=CC(=C(C=C1Br)[N+](=O)[O-])CCBr
InChI
InChI=1S/C8H7Br2NO2/c9-4-3-6-1-2-7(10)5-8(6)11(12)13/h1-2,5H,3-4H2
InChIKey
LMTOSNDIDOANSD-UHFFFAOYSA-N
Compound name
4-bromo-1-(2-bromoethyl)-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

306.88434 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.89162 158.2
[M+Na]+ 329.87356 153.6
[M+NH4]+ 324.91816 160.1
[M+K]+ 345.84750 160.7
[M-H]- 305.87706 159.6
[M+Na-2H]- 327.85901 159.0
[M]+ 306.88379 156.8
[M]- 306.88489 156.8
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