CID 21014966

7-chloro-3-(1h-imidazol-1-yl)benzo[e][1,2,4]triazine

Structural Information

Molecular Formula
C10H6ClN5
SMILES
C1=CC2=C(C=C1Cl)N=NC(=N2)N3C=CN=C3
InChI
InChI=1S/C10H6ClN5/c11-7-1-2-8-9(5-7)14-15-10(13-8)16-4-3-12-6-16/h1-6H
InChIKey
DGTGEGYFJGFHNA-UHFFFAOYSA-N
Compound name
7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

4
Patents

231.03117 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.03845 146.6
[M+Na]+ 254.02039 159.9
[M-H]- 230.02389 148.2
[M+NH4]+ 249.06499 161.3
[M+K]+ 269.99433 153.5
[M+H-H2O]+ 214.02843 136.1
[M+HCOO]- 276.02937 162.5
[M+CH3COO]- 290.04502 159.2
[M+Na-2H]- 252.00584 155.6
[M]+ 231.03062 150.2
[M]- 231.03172 150.2
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