CID 78534

3-chloro-5-nitro-1h-indazole

Structural Information

Molecular Formula
C7H4ClN3O2
SMILES
C1=CC2=NNC(=C2C=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C7H4ClN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)
InChIKey
UOWPRWCAMGTPHI-UHFFFAOYSA-N
Compound name
3-chloro-5-nitro-2H-indazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

394
Patents

196.9992 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe