CID 484726

3-nitro-7-chloropyrazolo[5,1-c][1,2,4] benzotriazine

Structural Information

Molecular Formula
C9H4ClN5O2
SMILES
C1=CC2=C(C=C1Cl)N=NC3=C(C=NN23)[N+](=O)[O-]
InChI
InChI=1S/C9H4ClN5O2/c10-5-1-2-7-6(3-5)12-13-9-8(15(16)17)4-11-14(7)9/h1-4H
InChIKey
HFMZCRJQPGFTAV-UHFFFAOYSA-N
Compound name
7-chloro-3-nitropyrazolo[5,1-c][1,2,4]benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.00536 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.01264 147.2
[M+Na]+ 271.99458 159.2
[M-H]- 247.99808 148.4
[M+NH4]+ 267.03918 162.8
[M+K]+ 287.96852 150.2
[M+H-H2O]+ 232.00262 143.1
[M+HCOO]- 294.00356 164.3
[M+CH3COO]- 308.01921 186.1
[M+Na-2H]- 269.98003 158.8
[M]+ 249.00481 150.2
[M]- 249.00591 150.2
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.