CID 484737

8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carbonitrile

Structural Information

Molecular Formula
C10H4ClN5
SMILES
C1=CC2=C(C=C1Cl)N3C(=C(C=N3)C#N)N=N2
InChI
InChI=1S/C10H4ClN5/c11-7-1-2-8-9(3-7)16-10(15-14-8)6(4-12)5-13-16/h1-3,5H
InChIKey
ZLMASHDOHQGHPO-UHFFFAOYSA-N
Compound name
8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

229.01552 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02280 146.1
[M+Na]+ 252.00474 161.2
[M-H]- 228.00824 145.0
[M+NH4]+ 247.04934 161.3
[M+K]+ 267.97868 153.1
[M+H-H2O]+ 212.01278 130.3
[M+HCOO]- 274.01372 158.3
[M+CH3COO]- 288.02937 157.1
[M+Na-2H]- 249.99019 153.8
[M]+ 229.01497 144.7
[M]- 229.01607 144.7
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

No patent data available for this compound.