CID 2736979

215434-25-6

Structural Information

Molecular Formula

C₈H₆ClNO₂S₃

SMILES

CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)Cl

InChI

InChI=1S/C8H6ClNO2S3/c1-5-10-6(4-13-5)7-2-3-8(14-7)15(9,11)12/h2-4H,1H3

InChIKey

YIKNRCVJBOLZFL-UHFFFAOYSA-N

Compound name

5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 278.92493 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]+	279.93221	161.9
[M+Na]+	301.91415	173.5
[M+NH4]+	296.95875	170.7
[M+K]+	317.88809	165.1
[M-H]-	277.91765	164.2
[M+Na-2H]-	299.89960	165.9
[M]+	278.92438	165.8
[M]-	278.92548	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe