CID 24226010

928709-67-5

Structural Information

Molecular Formula

C₈H₈Cl₂O₃S

SMILES

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C8H8Cl2O3S/c1-2-13-7-4-3-6(9)5-8(7)14(10,11)12/h3-5H,2H2,1H3

InChIKey

PDGIYYLBZMYHCQ-UHFFFAOYSA-N

Compound name

5-chloro-2-ethoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 253.95712 Da
Monoisotopic Mass: 2.9
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]+	254.964396	145.2
[M+Na]+	276.946338	156.4
[M-H]-	252.949844	149.6
[M+NH4]+	271.990943	164.6
[M+K]+	292.920278	151.5
[M+H-H2O]+	236.954380	142.1
[M+HCOO]-	298.955321	154.7
[M+CH3COO]-	312.970971	187.7
[M+Na-2H]-	274.931786	149.0
[M]+	253.95657142	152.8
[M]-	253.95766858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe