CID 13425725

97272-02-1

Structural Information

Molecular Formula

C₁₀H₇ClO₂S₂

SMILES

C1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)Cl

InChI

InChI=1S/C10H7ClO2S2/c11-15(12,13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H

InChIKey

NHRKTBLHJKMFTP-UHFFFAOYSA-N

Compound name

5-phenylthiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 257.9576 Da
Monoisotopic Mass: 3.6
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]+	258.96488	154.2
[M+Na]+	280.94682	167.4
[M+NH4]+	275.99142	163.9
[M+K]+	296.92076	158.1
[M-H]-	256.95032	157.8
[M+Na-2H]-	278.93227	161.4
[M]+	257.95705	158.5
[M]-	257.95815	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe