CID 23436923

2-chloro-5-(methylthio)pyridine

Structural Information

Molecular Formula
C6H6ClNS
SMILES
CSC1=CN=C(C=C1)Cl
InChI
InChI=1S/C6H6ClNS/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKey
GKQDGTBDVTVIDS-UHFFFAOYSA-N
Compound name
2-chloro-5-methylsulfanylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

158.99095 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.99823 127.9
[M+Na]+ 181.98017 142.9
[M+NH4]+ 177.02477 138.4
[M+K]+ 197.95411 133.0
[M-H]- 157.98367 131.0
[M+Na-2H]- 179.96562 135.9
[M]+ 158.99040 131.8
[M]- 158.99150 131.8
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