CID 22755815

62755-57-1

Structural Information

Molecular Formula

C₈H₅Cl₃O₂S

SMILES

C1=CC(=C(C=C1Cl)Cl)/C=C/S(=O)(=O)Cl

InChI

InChI=1S/C8H5Cl3O2S/c9-7-2-1-6(8(10)5-7)3-4-14(11,12)13/h1-5H/b4-3+

InChIKey

MQFAGVDNFKYFHR-ONEGZZNKSA-N

Compound name

(E)-2-(2,4-dichlorophenyl)ethenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 269.9076 Da
Monoisotopic Mass: 3.5
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]+	270.91488	156.8
[M+Na]+	292.89682	171.0
[M+NH4]+	287.94142	165.1
[M+K]+	308.87076	161.2
[M-H]-	268.90032	157.5
[M+Na-2H]-	290.88227	162.2
[M]+	269.90705	160.3
[M]-	269.90815	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe