CID 504232

3-amino-7-chloro-1,2,4-benzotriazine-1-oxide

Structural Information

Molecular Formula
C7H5ClN4O
SMILES
C1=CC2=C(C=C1Cl)[N+](=NC(=N2)N)[O-]
InChI
InChI=1S/C7H5ClN4O/c8-4-1-2-5-6(3-4)12(13)11-7(9)10-5/h1-3H,(H2,9,10,11)
InChIKey
OXILOAZZXVNKSG-UHFFFAOYSA-N
Compound name
7-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

36
Patents

196.01518 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.02246 135.9
[M+Na]+ 219.00440 147.0
[M-H]- 195.00790 135.2
[M+NH4]+ 214.04900 151.9
[M+K]+ 234.97834 137.5
[M+H-H2O]+ 179.01244 133.7
[M+HCOO]- 241.01338 151.9
[M+CH3COO]- 255.02903 174.4
[M+Na-2H]- 216.98985 146.9
[M]+ 196.01463 134.3
[M]- 196.01573 134.3
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.