CID 71030

Benzenamine, 2-(2h-benzotriazol-2-yl)-

Structural Information

Molecular Formula
C12H10N4
SMILES
C1=CC=C(C(=C1)N)N2N=C3C=CC=CC3=N2
InChI
InChI=1S/C12H10N4/c13-9-5-1-4-8-12(9)16-14-10-6-2-3-7-11(10)15-16/h1-8H,13H2
InChIKey
WEZAEJUVUHTITP-UHFFFAOYSA-N
Compound name
2-(benzotriazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

210.09055 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09783 143.6
[M+Na]+ 233.07977 154.8
[M-H]- 209.08327 147.9
[M+NH4]+ 228.12437 160.9
[M+K]+ 249.05371 149.4
[M+H-H2O]+ 193.08781 134.6
[M+HCOO]- 255.08875 167.2
[M+CH3COO]- 269.10440 156.9
[M+Na-2H]- 231.06522 152.3
[M]+ 210.09000 143.8
[M]- 210.09110 143.8
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