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]+ 196.97089 135.3
[M+Na]+ 218.95283 150.5
[M-H]- 194.95633 143.3
[M+NH4]+ 213.99743 151.5
[M+K]+ 234.92677 139.0
[M+H-H2O]+ 178.96087 134.0
[M+HCOO]- 240.96181 157.7
[M+CH3COO]- 254.97746 151.0
[M+Na-2H]- 216.93828 145.8
[M]+ 195.96306 155.9
[M]- 195.96416 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.