CID 9721

370-04-7

Structural Information

Molecular Formula
C8H7FOS
SMILES
C1=CC=C(C=C1)SC(=O)CF
InChI
InChI=1S/C8H7FOS/c9-6-8(10)11-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
ZMFYCHLZRAOBCQ-UHFFFAOYSA-N
Compound name
S-phenyl 2-fluoroethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.02016 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02744 130.7
[M+Na]+ 193.00938 138.9
[M-H]- 169.01288 133.4
[M+NH4]+ 188.05398 151.7
[M+K]+ 208.98332 136.3
[M+H-H2O]+ 153.01742 124.3
[M+HCOO]- 215.01836 148.7
[M+CH3COO]- 229.03401 176.2
[M+Na-2H]- 190.99483 134.3
[M]+ 170.01961 131.4
[M]- 170.02071 131.4
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.