CID 15480555

(4-cyanophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H6ClNO2S
SMILES
C1=CC(=CC=C1CS(=O)(=O)Cl)C#N
InChI
InChI=1S/C8H6ClNO2S/c9-13(11,12)6-8-3-1-7(5-10)2-4-8/h1-4H,6H2
InChIKey
UKKQISHRHXSEGI-UHFFFAOYSA-N
Compound name
(4-cyanophenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

214.98077 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.98805 138.8
[M+Na]+ 237.96999 151.2
[M+NH4]+ 233.01459 143.8
[M+K]+ 253.94393 140.6
[M-H]- 213.97349 132.9
[M+Na-2H]- 235.95544 142.9
[M]+ 214.98022 138.8
[M]- 214.98132 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe