CID 2757779

2-(3-chlorophenyl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H8Cl2O2S
SMILES
C1=CC(=CC(=C1)Cl)CCS(=O)(=O)Cl
InChI
InChI=1S/C8H8Cl2O2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-3,6H,4-5H2
InChIKey
PDUXISISBUJADZ-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

237.9622 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.969476 143.1
[M+Na]+ 260.951418 153.6
[M-H]- 236.954924 147.1
[M+NH4]+ 255.996023 162.9
[M+K]+ 276.925358 148.1
[M+H-H2O]+ 220.959460 139.8
[M+HCOO]- 282.960401 152.4
[M+CH3COO]- 296.976051 184.6
[M+Na-2H]- 258.936866 147.3
[M]+ 237.96165142 148.8
[M]- 237.96274858 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe