CID 4373552

1-(4-(4-bromophenylazo)phenyl)aziridine

Structural Information

Molecular Formula
C14H12BrN3
SMILES
C1CN1C2=CC=C(C=C2)N=NC3=CC=C(C=C3)Br
InChI
InChI=1S/C14H12BrN3/c15-11-1-3-12(4-2-11)16-17-13-5-7-14(8-6-13)18-9-10-18/h1-8H,9-10H2
InChIKey
KSGKOILCMAOPBJ-UHFFFAOYSA-N
Compound name
[4-(aziridin-1-yl)phenyl]-(4-bromophenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.02145 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.02873 160.0
[M+Na]+ 324.01067 172.5
[M-H]- 300.01417 173.5
[M+NH4]+ 319.05527 173.7
[M+K]+ 339.98461 160.5
[M+H-H2O]+ 284.01871 156.8
[M+HCOO]- 346.01965 186.1
[M+CH3COO]- 360.03530 174.4
[M+Na-2H]- 321.99612 169.1
[M]+ 301.02090 180.3
[M]- 301.02200 180.3
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.