CID 14439736

101421-23-2

Structural Information

Molecular Formula
C7H4ClN3O2
SMILES
C1=C2C=NNC2=CC(=C1Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H4ClN3O2/c8-5-1-4-3-9-10-6(4)2-7(5)11(12)13/h1-3H,(H,9,10)
InChIKey
DZZDOTRWNHJVCB-UHFFFAOYSA-N
Compound name
5-chloro-6-nitro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

196.9992 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.00648 134.5
[M+Na]+ 219.98842 145.3
[M-H]- 195.99192 135.9
[M+NH4]+ 215.03302 153.5
[M+K]+ 235.96236 136.8
[M+H-H2O]+ 179.99646 133.2
[M+HCOO]- 241.99740 154.0
[M+CH3COO]- 256.01305 172.6
[M+Na-2H]- 217.97387 144.3
[M]+ 196.99865 135.1
[M]- 196.99975 135.1
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

patents stripe