CID 14439736

5-chloro-6-nitro-1h-indazole

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

7
Patents

196.9992 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.006476 134.5
[M+Na]+ 219.988418 145.3
[M-H]- 195.991924 135.9
[M+NH4]+ 215.033023 153.5
[M+K]+ 235.962358 136.8
[M+H-H2O]+ 179.996460 133.2
[M+HCOO]- 241.997401 154.0
[M+CH3COO]- 256.013051 172.6
[M+Na-2H]- 217.973866 144.3
[M]+ 196.99865142 135.1
[M]- 196.99974858 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