CID 121594882

2109489-12-3

Structural Information

Molecular Formula
C9H8ClNO2S
SMILES
C1=CC(=CC=C1CCS(=O)(=O)Cl)C#N
InChI
InChI=1S/C9H8ClNO2S/c10-14(12,13)6-5-8-1-3-9(7-11)4-2-8/h1-4H,5-6H2
InChIKey
XFGFWDUDKRTJFR-UHFFFAOYSA-N
Compound name
2-(4-cyanophenyl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.99643 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.00371 142.7
[M+Na]+ 251.98565 154.9
[M+NH4]+ 247.03025 147.6
[M+K]+ 267.95959 144.2
[M-H]- 227.98915 136.8
[M+Na-2H]- 249.97110 146.6
[M]+ 228.99588 142.7
[M]- 228.99698 142.7
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.