CID 23441560

2-(2-bromo-4-nitrophenyl)acetonitrile

Structural Information

Molecular Formula
C8H5BrN2O2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Br)CC#N
InChI
InChI=1S/C8H5BrN2O2/c9-8-5-7(11(12)13)2-1-6(8)3-4-10/h1-2,5H,3H2
InChIKey
SLKNLFRUKRDJJG-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-nitrophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

239.95345 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.96073 145.6
[M+Na]+ 262.94267 150.1
[M+NH4]+ 257.98727 147.7
[M+K]+ 278.91661 148.6
[M-H]- 238.94617 141.2
[M+Na-2H]- 260.92812 147.0
[M]+ 239.95290 143.2
[M]- 239.95400 143.2
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