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

160
Patents

190.98077 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.988046 132.6
[M+Na]+ 213.969988 143.8
[M-H]- 189.973494 136.0
[M+NH4]+ 209.014593 152.6
[M+K]+ 229.943928 140.0
[M+H-H2O]+ 173.978030 127.9
[M+HCOO]- 235.978971 146.2
[M+CH3COO]- 249.994621 176.4
[M+Na-2H]- 211.955436 138.4
[M]+ 190.98022142 137.1
[M]- 190.98131858 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