CID 165712234

2-ethynylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H5ClO2S
SMILES
C#CC1=CC=CC=C1S(=O)(=O)Cl
InChI
InChI=1S/C8H5ClO2S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h1,3-6H
InChIKey
GMIGILOQENMYFL-UHFFFAOYSA-N
Compound name
2-ethynylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.96988 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.97716 133.8
[M+Na]+ 222.95910 147.0
[M+NH4]+ 218.00370 139.1
[M+K]+ 238.93304 136.4
[M-H]- 198.96260 127.4
[M+Na-2H]- 220.94455 137.8
[M]+ 199.96933 133.9
[M]- 199.97043 133.9
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.