CID 10018

462-31-7

Structural Information

Molecular Formula
C4H7FOS
SMILES
CC(=O)SCCF
InChI
InChI=1S/C4H7FOS/c1-4(6)7-3-2-5/h2-3H2,1H3
InChIKey
MFWYIFRPVITMEP-UHFFFAOYSA-N
Compound name
S-(2-fluoroethyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

122.020164 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.02744 119.8
[M+Na]+ 145.00938 128.0
[M-H]- 121.01289 119.4
[M+NH4]+ 140.05399 142.8
[M+K]+ 160.98332 127.3
[M+H-H2O]+ 105.01742 114.6
[M+HCOO]- 167.01836 137.1
[M+CH3COO]- 181.03402 169.1
[M+Na-2H]- 142.99483 122.6
[M]+ 122.01962 121.3
[M]- 122.02071 121.3
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

patents stripe