CID 72221028

6-bromo-3-chloro-2-methyl-2h-indazole

Structural Information

Molecular Formula

C₈H₆BrClN₂

SMILES

CN1C(=C2C=CC(=CC2=N1)Br)Cl

InChI

InChI=1S/C8H6BrClN2/c1-12-8(10)6-3-2-5(9)4-7(6)11-12/h2-4H,1H3

InChIKey

GTEXMOAFZRRHAA-UHFFFAOYSA-N

Compound name

6-bromo-3-chloro-2-methylindazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 243.94029 Da
Monoisotopic Mass: 3.2
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]+	244.94757	144.1
[M+Na]+	266.92951	150.5
[M+NH4]+	261.97411	150.0
[M+K]+	282.90345	150.1
[M-H]-	242.93301	144.7
[M+Na-2H]-	264.91496	148.1
[M]+	243.93974	144.4
[M]-	243.94084	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe