CID 53415911

1-bromo-5-(bromomethyl)-2-methyl-3-nitrobenzene

Structural Information

Molecular Formula
C8H7Br2NO2
SMILES
CC1=C(C=C(C=C1Br)CBr)[N+](=O)[O-]
InChI
InChI=1S/C8H7Br2NO2/c1-5-7(10)2-6(4-9)3-8(5)11(12)13/h2-3H,4H2,1H3
InChIKey
PELNTNRVLLVYSB-UHFFFAOYSA-N
Compound name
1-bromo-5-(bromomethyl)-2-methyl-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.88434 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.89162 157.7
[M+Na]+ 329.87356 153.3
[M+NH4]+ 324.91816 159.6
[M+K]+ 345.84750 160.5
[M-H]- 305.87706 159.2
[M+Na-2H]- 327.85901 158.5
[M]+ 306.88379 156.4
[M]- 306.88489 156.4
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.