CID 72207922

6-bromo-2-methyl-2h-indazole-3-sulfonyl chloride

Structural Information

Molecular Formula

C₈H₆BrClN₂O₂S

SMILES

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

InChI

InChI=1S/C8H6BrClN2O2S/c1-12-8(15(10,13)14)6-3-2-5(9)4-7(6)11-12/h2-4H,1H3

InChIKey

GDJZBZOTIHWXJD-UHFFFAOYSA-N

Compound name

6-bromo-2-methylindazole-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.9022 Da
Monoisotopic Mass: 2.6
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]+	308.909476	145.7
[M+Na]+	330.891418	163.9
[M-H]-	306.894924	152.6
[M+NH4]+	325.936023	167.3
[M+K]+	346.865358	150.8
[M+H-H2O]+	290.899460	147.6
[M+HCOO]-	352.900401	158.1
[M+CH3COO]-	366.916051	194.3
[M+Na-2H]-	328.876866	153.1
[M]+	307.90165142	171.9
[M]-	307.90274858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.