CID 93422

Triazoxide

Structural Information

Molecular Formula
C10H6ClN5O
SMILES
C1=CC2=C(C=C1Cl)[N+](=NC(=N2)N3C=CN=C3)[O-]
InChI
InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H
InChIKey
IQGKIPDJXCAMSM-UHFFFAOYSA-N
Compound name
7-chloro-3-imidazol-1-yl-1-oxido-1,2,4-benzotriazin-1-ium
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

28158
Patents

247.0261 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.03338 150.4
[M+Na]+ 270.01532 162.7
[M-H]- 246.01882 151.0
[M+NH4]+ 265.05992 163.3
[M+K]+ 285.98926 151.9
[M+H-H2O]+ 230.02336 144.8
[M+HCOO]- 292.02430 165.3
[M+CH3COO]- 306.03995 181.4
[M+Na-2H]- 268.00077 160.6
[M]+ 247.02555 151.4
[M]- 247.02665 151.4
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.