CID 45791237

2-chloro-5-[(methylsulfonyl)methyl]pyridine

Structural Information

Molecular Formula
C7H8ClNO2S
SMILES
CS(=O)(=O)CC1=CN=C(C=C1)Cl
InChI
InChI=1S/C7H8ClNO2S/c1-12(10,11)5-6-2-3-7(8)9-4-6/h2-4H,5H2,1H3
InChIKey
IRDBHHYEFJTWNN-UHFFFAOYSA-N
Compound name
2-chloro-5-(methylsulfonylmethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

204.99643 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.00371 137.1
[M+Na]+ 227.98565 147.9
[M-H]- 203.98915 140.4
[M+NH4]+ 223.03025 156.6
[M+K]+ 243.95959 143.8
[M+H-H2O]+ 187.99369 132.3
[M+HCOO]- 249.99463 150.5
[M+CH3COO]- 264.01028 179.4
[M+Na-2H]- 225.97110 142.5
[M]+ 204.99588 142.0
[M]- 204.99698 142.0
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

patents stripe