CID 501251

2-[(4-chlorophenyl)methylsulfanyl]pyridine

Structural Information

Molecular Formula
C12H10ClNS
SMILES
C1=CC=NC(=C1)SCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H10ClNS/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h1-8H,9H2
InChIKey
DJGADUJSUSJJPL-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methylsulfanyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.02225 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.02953 146.2
[M+Na]+ 258.01147 156.0
[M-H]- 234.01497 151.8
[M+NH4]+ 253.05607 164.2
[M+K]+ 273.98541 149.8
[M+H-H2O]+ 218.01951 139.6
[M+HCOO]- 280.02045 160.4
[M+CH3COO]- 294.03610 159.2
[M+Na-2H]- 255.99692 151.1
[M]+ 235.02170 149.7
[M]- 235.02280 149.7
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.