CID 5938154

(e)-2-(4-chlorophenyl)ethene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H6Cl2O2S
SMILES
C1=CC(=CC=C1/C=C/S(=O)(=O)Cl)Cl
InChI
InChI=1S/C8H6Cl2O2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-6H/b6-5+
InChIKey
HVBRPCXLQIUQLT-AATRIKPKSA-N
Compound name
(E)-2-(4-chlorophenyl)ethenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

235.94655 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.95383 142.6
[M+Na]+ 258.93577 153.6
[M-H]- 234.93927 146.8
[M+NH4]+ 253.98037 162.5
[M+K]+ 274.90971 147.4
[M+H-H2O]+ 218.94381 139.5
[M+HCOO]- 280.94475 152.1
[M+CH3COO]- 294.96040 183.0
[M+Na-2H]- 256.92122 146.8
[M]+ 235.94600 147.6
[M]- 235.94710 147.6
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