CID 474268

S-(thiiran-2-ylmethyl) 3-chloropropanethioate

Structural Information

Molecular Formula
C6H9ClOS2
SMILES
C1C(S1)CSC(=O)CCCl
InChI
InChI=1S/C6H9ClOS2/c7-2-1-6(8)10-4-5-3-9-5/h5H,1-4H2
InChIKey
NDOVDCRDVBNCNG-UHFFFAOYSA-N
Compound name
S-(thiiran-2-ylmethyl) 3-chloropropanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.97833 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.98561 127.6
[M+Na]+ 218.96755 136.2
[M-H]- 194.97105 131.8
[M+NH4]+ 214.01215 143.5
[M+K]+ 234.94149 131.7
[M+H-H2O]+ 178.97559 122.4
[M+HCOO]- 240.97653 135.9
[M+CH3COO]- 254.99218 182.9
[M+Na-2H]- 216.95300 128.5
[M]+ 195.97778 133.9
[M]- 195.97888 133.9
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.