CID 24729269

5-chloro-7-nitro-1h-indazole

Structural Information

Molecular Formula

C₇H₄ClN₃O₂

SMILES

C1=C(C=C(C2=C1C=NN2)[N+](=O)[O-])Cl

InChI

InChI=1S/C7H4ClN3O2/c8-5-1-4-3-9-10-7(4)6(2-5)11(12)13/h1-3H,(H,9,10)

InChIKey

KQHCCQUSXVZFIZ-UHFFFAOYSA-N

Compound name

5-chloro-7-nitro-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 196.9992 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe