CID 9843

406-27-9

Structural Information

Molecular Formula
C4H6ClFOS
SMILES
C(CCl)SC(=O)CF
InChI
InChI=1S/C4H6ClFOS/c5-1-2-8-4(7)3-6/h1-3H2
InChIKey
WVIGZHKFISVJCL-UHFFFAOYSA-N
Compound name
S-(2-chloroethyl) 2-fluoroethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.98119 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.98847 124.3
[M+Na]+ 178.97041 133.0
[M-H]- 154.97391 123.8
[M+NH4]+ 174.01501 146.7
[M+K]+ 194.94435 130.3
[M+H-H2O]+ 138.97845 120.1
[M+HCOO]- 200.97939 137.1
[M+CH3COO]- 214.99504 172.9
[M+Na-2H]- 176.95586 126.8
[M]+ 155.98064 127.4
[M]- 155.98174 127.4
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.