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

302
Patents

196.9992 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe