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

6
Patents

173.00659 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.013866 129.6
[M+Na]+ 195.995808 139.8
[M-H]- 171.999314 132.5
[M+NH4]+ 191.040413 150.5
[M+K]+ 211.969748 135.7
[M+H-H2O]+ 156.003850 124.6
[M+HCOO]- 218.004791 143.7
[M+CH3COO]- 232.020441 176.9
[M+Na-2H]- 193.981256 134.3
[M]+ 173.00604142 133.6
[M]- 173.00713858 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