CID 8167038

2-bromo-4-methyl-1-nitrobenzene

Structural Information

Molecular Formula
C7H6BrNO2
SMILES
CC1=CC(=C(C=C1)[N+](=O)[O-])Br
InChI
InChI=1S/C7H6BrNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChIKey
JXNZCXHQQAUHBJ-UHFFFAOYSA-N
Compound name
2-bromo-4-methyl-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

214.95819 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.96547 137.3
[M+Na]+ 237.94741 142.1
[M+NH4]+ 232.99201 142.7
[M+K]+ 253.92135 144.0
[M-H]- 213.95091 139.5
[M+Na-2H]- 235.93286 141.3
[M]+ 214.95764 137.4
[M]- 214.95874 137.4
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

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