CID 131090584

1934900-46-5

Structural Information

Molecular Formula
C7H7Cl2NO2S
SMILES
CC1=CC(=CC(=N1)Cl)CS(=O)(=O)Cl
InChI
InChI=1S/C7H7Cl2NO2S/c1-5-2-6(3-7(8)10-5)4-13(9,11)12/h2-3H,4H2,1H3
InChIKey
NLBFUTPESPTSSX-UHFFFAOYSA-N
Compound name
(2-chloro-6-methylpyridin-4-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.95746 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96474 141.9
[M+Na]+ 261.94668 153.6
[M-H]- 237.95018 144.9
[M+NH4]+ 256.99128 160.6
[M+K]+ 277.92062 148.4
[M+H-H2O]+ 221.95472 138.0
[M+HCOO]- 283.95566 150.1
[M+CH3COO]- 297.97131 185.3
[M+Na-2H]- 259.93213 145.9
[M]+ 238.95691 147.9
[M]- 238.95801 147.9
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.