CID 55279257

2-cyano-6-methylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H6ClNO2S
SMILES
CC1=C(C(=CC=C1)C#N)S(=O)(=O)Cl
InChI
InChI=1S/C8H6ClNO2S/c1-6-3-2-4-7(5-10)8(6)13(9,11)12/h2-4H,1H3
InChIKey
WNDBCUCPZSDYPO-UHFFFAOYSA-N
Compound name
2-cyano-6-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.98077 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.98805 137.9
[M+Na]+ 237.96999 150.6
[M+NH4]+ 233.01459 143.0
[M+K]+ 253.94393 140.3
[M-H]- 213.97349 132.1
[M+Na-2H]- 235.95544 141.9
[M]+ 214.98022 138.0
[M]- 214.98132 138.0
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.