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
4
Annotation Hits

0
References

17289
Patents

244.03249 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03977 149.3
[M+Na]+ 267.02171 158.4
[M-H]- 243.02521 153.5
[M+NH4]+ 262.06631 168.8
[M+K]+ 282.99565 154.2
[M+H-H2O]+ 227.02975 144.6
[M+HCOO]- 289.03069 163.1
[M+CH3COO]- 303.04634 190.5
[M+Na-2H]- 265.00716 150.4
[M]+ 244.03194 156.3
[M]- 244.03304 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.