CID 474275

Niosh/ag0582000

Structural Information

Molecular Formula
C11H11ClO2S2
SMILES
C1C(S1)CSC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H11ClO2S2/c12-8-1-3-9(4-2-8)14-5-11(13)16-7-10-6-15-10/h1-4,10H,5-7H2
InChIKey
FPZABXHXNNJPLT-UHFFFAOYSA-N
Compound name
S-(thiiran-2-ylmethyl) 2-(4-chlorophenoxy)ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9889 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.99618 144.4
[M+Na]+ 296.97812 153.3
[M-H]- 272.98162 151.4
[M+NH4]+ 292.02272 157.4
[M+K]+ 312.95206 147.8
[M+H-H2O]+ 256.98616 138.6
[M+HCOO]- 318.98710 153.6
[M+CH3COO]- 333.00275 195.3
[M+Na-2H]- 294.96357 145.5
[M]+ 273.98835 152.2
[M]- 273.98945 152.2
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.