CID 14468233

4-(dibromomethyl)-3-nitrobenzonitrile

Structural Information

Molecular Formula
C8H4Br2N2O2
SMILES
C1=CC(=C(C=C1C#N)[N+](=O)[O-])C(Br)Br
InChI
InChI=1S/C8H4Br2N2O2/c9-8(10)6-2-1-5(4-11)3-7(6)12(13)14/h1-3,8H
InChIKey
QSNWGGZLZYPJJC-UHFFFAOYSA-N
Compound name
4-(dibromomethyl)-3-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.86395 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.87123 145.5
[M+Na]+ 340.85317 157.3
[M-H]- 316.85667 149.3
[M+NH4]+ 335.89777 161.2
[M+K]+ 356.82711 138.8
[M+H-H2O]+ 300.86121 148.9
[M+HCOO]- 362.86215 162.9
[M+CH3COO]- 376.87780 210.8
[M+Na-2H]- 338.83862 151.6
[M]+ 317.86340 171.5
[M]- 317.86450 171.5
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.