CID 250218

Nsc69348

Structural Information

Molecular Formula
C9H5ClN4
SMILES
C1=CC2=C(C=C1Cl)N=NN3C2=CC=N3
InChI
InChI=1S/C9H5ClN4/c10-6-1-2-7-8(5-6)12-13-14-9(7)3-4-11-14/h1-5H
InChIKey
NSRWUYWTXVFSCT-UHFFFAOYSA-N
Compound name
8-chloropyrazolo[1,5-c][1,2,3]benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.02028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02756 138.9
[M+Na]+ 227.00950 152.8
[M-H]- 203.01300 139.7
[M+NH4]+ 222.05410 157.5
[M+K]+ 242.98344 146.9
[M+H-H2O]+ 187.01754 130.3
[M+HCOO]- 249.01848 155.1
[M+CH3COO]- 263.03413 152.5
[M+Na-2H]- 224.99495 149.1
[M]+ 204.01973 143.1
[M]- 204.02083 143.1
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.