CID 3311340

Methyl 2-[(4-chlorophenyl)methylsulfanyl]acetate

Structural Information

Molecular Formula
C10H11ClO2S
SMILES
COC(=O)CSCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H11ClO2S/c1-13-10(12)7-14-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKey
SOZGVMJZDNRJJE-UHFFFAOYSA-N
Compound name
methyl 2-[(4-chlorophenyl)methylsulfanyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

230.01683 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02411 147.4
[M+Na]+ 253.00605 160.5
[M+NH4]+ 248.05065 156.5
[M+K]+ 268.97999 151.2
[M-H]- 229.00955 149.6
[M+Na-2H]- 250.99150 153.5
[M]+ 230.01628 150.7
[M]- 230.01738 150.7
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

patents stripe