CID 484739

3-bromo-8-chloro-pyrazolo[5,1-c][1,2,4]benzotriazine

Structural Information

Molecular Formula
C9H4BrClN4
SMILES
C1=CC2=C(C=C1Cl)N3C(=C(C=N3)Br)N=N2
InChI
InChI=1S/C9H4BrClN4/c10-6-4-12-15-8-3-5(11)1-2-7(8)13-14-9(6)15/h1-4H
InChIKey
KPCQVQIHIIPHOX-UHFFFAOYSA-N
Compound name
3-bromo-8-chloropyrazolo[5,1-c][1,2,4]benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.9308 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.93808 146.5
[M+Na]+ 304.92002 164.1
[M-H]- 280.92352 150.6
[M+NH4]+ 299.96462 166.3
[M+K]+ 320.89396 150.9
[M+H-H2O]+ 264.92806 145.6
[M+HCOO]- 326.92900 161.1
[M+CH3COO]- 340.94465 161.9
[M+Na-2H]- 302.90547 157.2
[M]+ 281.93025 169.6
[M]- 281.93135 169.6
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.