CID 12295464

6-methylpyridine-2-sulfonyl chloride

Structural Information

Molecular Formula
C6H6ClNO2S
SMILES
CC1=NC(=CC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C6H6ClNO2S/c1-5-3-2-4-6(8-5)11(7,9)10/h2-4H,1H3
InChIKey
YUWSYDYNEKIQLL-UHFFFAOYSA-N
Compound name
6-methylpyridine-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

190.98077 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.98805 132.6
[M+Na]+ 213.96999 143.8
[M-H]- 189.97349 136.0
[M+NH4]+ 209.01459 152.6
[M+K]+ 229.94393 140.0
[M+H-H2O]+ 173.97803 127.9
[M+HCOO]- 235.97897 146.2
[M+CH3COO]- 249.99462 176.4
[M+Na-2H]- 211.95544 138.4
[M]+ 190.98022 137.1
[M]- 190.98132 137.1
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

patents stripe