CID 32876

Mcpa-thioethyl

Structural Information

Molecular Formula
C11H13ClO2S
SMILES
CCSC(=O)COC1=C(C=C(C=C1)Cl)C
InChI
InChI=1S/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3
InChIKey
AZFKQCNGMSSWDS-UHFFFAOYSA-N
Compound name
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

17365
Patents

244.03249 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.039766 149.3
[M+Na]+ 267.021708 158.4
[M-H]- 243.025214 153.5
[M+NH4]+ 262.066313 168.8
[M+K]+ 282.995648 154.2
[M+H-H2O]+ 227.029750 144.6
[M+HCOO]- 289.030691 163.1
[M+CH3COO]- 303.046341 190.5
[M+Na-2H]- 265.007156 150.4
[M]+ 244.03194142 156.3
[M]- 244.03303858 156.3
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