CID 268460

3,5-dichloro-1h-indazole

Structural Information

Molecular Formula

C₇H₄Cl₂N₂

SMILES

C1=CC2=NNC(=C2C=C1Cl)Cl

InChI

InChI=1S/C7H4Cl2N2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)

InChIKey

QQZISIWJMCCCNH-UHFFFAOYSA-N

Compound name

3,5-dichloro-2H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 185.97516 Da
Monoisotopic Mass: 3.1
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]+	186.98244	131.7
[M+Na]+	208.96438	144.9
[M-H]-	184.96788	132.3
[M+NH4]+	204.00898	152.7
[M+K]+	224.93832	138.4
[M+H-H2O]+	168.97242	126.3
[M+HCOO]-	230.97336	144.9
[M+CH3COO]-	244.98901	145.6
[M+Na-2H]-	206.94983	139.1
[M]+	185.97461	134.5
[M]-	185.97571	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe