CID 817805

4-chlorobenzyl phenyl sulfide

Structural Information

Molecular Formula
C13H11ClS
SMILES
C1=CC=C(C=C1)SCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H11ClS/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2
InChIKey
LRNMYRDKMXIGKZ-UHFFFAOYSA-N
Compound name
1-chloro-4-(phenylsulfanylmethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

234.027 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03428 146.8
[M+Na]+ 257.01622 156.2
[M-H]- 233.01972 153.8
[M+NH4]+ 252.06082 166.3
[M+K]+ 272.99016 149.9
[M+H-H2O]+ 217.02426 141.1
[M+HCOO]- 279.02520 162.0
[M+CH3COO]- 293.04085 160.1
[M+Na-2H]- 255.00167 151.2
[M]+ 234.02645 150.3
[M]- 234.02755 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe