CID 165962232

3-(4-bromophenyl)-3h-diazirine

Structural Information

Molecular Formula
C7H5BrN2
SMILES
C1=CC(=CC=C1C2N=N2)Br
InChI
InChI=1S/C7H5BrN2/c8-6-3-1-5(2-4-6)7-9-10-7/h1-4,7H
InChIKey
XGPDLSJEDYBRJQ-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-3H-diazirine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.96361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.970886 135.3
[M+Na]+ 218.952828 150.5
[M-H]- 194.956334 143.3
[M+NH4]+ 213.997433 151.5
[M+K]+ 234.926768 139.0
[M+H-H2O]+ 178.960870 134.0
[M+HCOO]- 240.961811 157.7
[M+CH3COO]- 254.977461 151.0
[M+Na-2H]- 216.938276 145.8
[M]+ 195.96306142 155.9
[M]- 195.96415858 155.9
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.