CID 9759

4-fluorobutyl thiolacetate

Structural Information

Molecular Formula
C6H11FOS
SMILES
CC(=O)SCCCCF
InChI
InChI=1S/C6H11FOS/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
InChIKey
YRZBWKXTJMKJIO-UHFFFAOYSA-N
Compound name
S-(4-fluorobutyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

150.05147 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05875 129.0
[M+Na]+ 173.04069 136.3
[M-H]- 149.04419 128.1
[M+NH4]+ 168.08529 150.8
[M+K]+ 189.01463 135.0
[M+H-H2O]+ 133.04873 123.3
[M+HCOO]- 195.04967 145.6
[M+CH3COO]- 209.06532 175.1
[M+Na-2H]- 171.02614 130.7
[M]+ 150.05092 131.2
[M]- 150.05202 131.2
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

patents stripe