CID 22567144

1h-indazole-5-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₅ClN₂O₂S

SMILES

C1=CC2=C(C=C1S(=O)(=O)Cl)C=NN2

InChI

InChI=1S/C7H5ClN2O2S/c8-13(11,12)6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)

InChIKey

OHNCNPVNTFTJLX-UHFFFAOYSA-N

Compound name

1H-indazole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 215.97603 Da
Monoisotopic Mass: 2.2
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]+	216.98331	141.4
[M+Na]+	238.96525	155.0
[M+NH4]+	234.00985	149.6
[M+K]+	254.93919	148.8
[M-H]-	214.96875	141.2
[M+Na-2H]-	236.95070	147.1
[M]+	215.97548	144.0
[M]-	215.97658	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe