CID 13237411

2-(2,6-dichlorophenyl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H7Cl3O2S
SMILES
C1=CC(=C(C(=C1)Cl)CCS(=O)(=O)Cl)Cl
InChI
InChI=1S/C8H7Cl3O2S/c9-7-2-1-3-8(10)6(7)4-5-14(11,12)13/h1-3H,4-5H2
InChIKey
ZTCXGVMNBNUQIA-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.92325 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.93053 148.5
[M+Na]+ 294.91247 159.5
[M-H]- 270.91597 151.9
[M+NH4]+ 289.95707 167.1
[M+K]+ 310.88641 153.4
[M+H-H2O]+ 254.92051 146.2
[M+HCOO]- 316.92145 152.5
[M+CH3COO]- 330.93710 191.1
[M+Na-2H]- 292.89792 151.1
[M]+ 271.92270 154.4
[M]- 271.92380 154.4
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

No patent data available for this compound.