CID 130779481

1807199-55-8

Structural Information

Molecular Formula
C9H8ClNO2S
SMILES
CC1=CC(=CC(=C1S(=O)(=O)Cl)C)C#N
InChI
InChI=1S/C9H8ClNO2S/c1-6-3-8(5-11)4-7(2)9(6)14(10,12)13/h3-4H,1-2H3
InChIKey
PIDAOGJNDDULOA-UHFFFAOYSA-N
Compound name
4-cyano-2,6-dimethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.99643 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.00371 141.1
[M+Na]+ 251.98565 153.9
[M+NH4]+ 247.03025 146.0
[M+K]+ 267.95959 143.6
[M-H]- 227.98915 135.3
[M+Na-2H]- 249.97110 144.7
[M]+ 228.99588 141.2
[M]- 228.99698 141.2
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.