CID 84648281

1-[(2-fluoroethyl)sulfanyl]propan-2-one

Structural Information

Molecular Formula
C5H9FOS
SMILES
CC(=O)CSCCF
InChI
InChI=1S/C5H9FOS/c1-5(7)4-8-3-2-6/h2-4H2,1H3
InChIKey
UQJVHHMGAQLUQY-UHFFFAOYSA-N
Compound name
1-(2-fluoroethylsulfanyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.03581 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04309 124.2
[M+Na]+ 159.02503 131.9
[M-H]- 135.02853 123.6
[M+NH4]+ 154.06963 146.6
[M+K]+ 174.99897 130.9
[M+H-H2O]+ 119.03307 118.8
[M+HCOO]- 181.03401 141.2
[M+CH3COO]- 195.04966 172.8
[M+Na-2H]- 157.01048 126.5
[M]+ 136.03526 126.2
[M]- 136.03636 126.2
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.