CID 130066551

4-(2-bromoacetyl)-2-nitrobenzonitrile

Structural Information

Molecular Formula
C9H5BrN2O3
SMILES
C1=CC(=C(C=C1C(=O)CBr)[N+](=O)[O-])C#N
InChI
InChI=1S/C9H5BrN2O3/c10-4-9(13)6-1-2-7(5-11)8(3-6)12(14)15/h1-3H,4H2
InChIKey
QNPPBVCFEUZWLH-UHFFFAOYSA-N
Compound name
4-(2-bromoacetyl)-2-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.94836 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.95564 150.4
[M+Na]+ 290.93758 154.1
[M+NH4]+ 285.98218 151.6
[M+K]+ 306.91152 153.4
[M-H]- 266.94108 145.2
[M+Na-2H]- 288.92303 150.8
[M]+ 267.94781 147.5
[M]- 267.94891 147.5
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.