CID 119093767

2-chloro-3-(ethylsulfanyl)pyridine

Structural Information

Molecular Formula
C7H8ClNS
SMILES
CCSC1=C(N=CC=C1)Cl
InChI
InChI=1S/C7H8ClNS/c1-2-10-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
InChIKey
BOAFKWLJKZWSLY-UHFFFAOYSA-N
Compound name
2-chloro-3-ethylsulfanylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

173.00659 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.01387 129.6
[M+Na]+ 195.99581 139.8
[M-H]- 171.99931 132.5
[M+NH4]+ 191.04041 150.5
[M+K]+ 211.96975 135.7
[M+H-H2O]+ 156.00385 124.6
[M+HCOO]- 218.00479 143.7
[M+CH3COO]- 232.02044 176.9
[M+Na-2H]- 193.98126 134.3
[M]+ 173.00604 133.6
[M]- 173.00714 133.6
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