CID 2735756

166964-33-6

Structural Information

Molecular Formula

C₉H₆Cl₂O₂S₂

SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C9H6Cl2O2S2/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3

InChIKey

JLTUANWNGKWRQO-UHFFFAOYSA-N

Compound name

5-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 483
Patents: 279.91864 Da
Monoisotopic Mass: 4.3
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]+	280.92592	160.3
[M+Na]+	302.90786	174.6
[M+NH4]+	297.95246	170.1
[M+K]+	318.88180	164.7
[M-H]-	278.91136	162.2
[M+Na-2H]-	300.89331	165.1
[M]+	279.91809	164.5
[M]-	279.91919	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe