CID 72218749

6,7-dichloro-1h-indazole

Structural Information

Molecular Formula

C₇H₄Cl₂N₂

SMILES

C1=CC(=C(C2=C1C=NN2)Cl)Cl

InChI

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

InChIKey

DKFRPUIOXSRKFF-UHFFFAOYSA-N

Compound name

6,7-dichloro-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 185.97516 Da
Monoisotopic Mass: 2.8
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]+	186.982436	131.7
[M+Na]+	208.964378	144.9
[M-H]-	184.967884	132.3
[M+NH4]+	204.008983	152.7
[M+K]+	224.938318	138.4
[M+H-H2O]+	168.972420	126.3
[M+HCOO]-	230.973361	144.9
[M+CH3COO]-	244.989011	145.6
[M+Na-2H]-	206.949826	139.1
[M]+	185.97461142	134.5
[M]-	185.97570858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe