CID 84865

15284-70-5

Structural Information

Molecular Formula
C12H8N6
SMILES
C1=CC=C(C(=C1)N=[N+]=[N-])N2N=C3C=CC=CC3=N2
InChI
InChI=1S/C12H8N6/c13-17-14-11-7-3-4-8-12(11)18-15-9-5-1-2-6-10(9)16-18/h1-8H
InChIKey
OSVLYBSRHUTBKY-UHFFFAOYSA-N
Compound name
2-(2-azidophenyl)benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

236.08104 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.088316 146.7
[M+Na]+ 259.070258 156.3
[M-H]- 235.073764 153.9
[M+NH4]+ 254.114863 163.0
[M+K]+ 275.044198 147.2
[M+H-H2O]+ 219.078300 140.7
[M+HCOO]- 281.079241 176.4
[M+CH3COO]- 295.094891 194.0
[M+Na-2H]- 257.055706 160.6
[M]+ 236.08049142 146.1
[M]- 236.08158858 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe