CID 9721

Acetic acid, fluorothio-, s-phenyl ester

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]+ 171.027436 130.7
[M+Na]+ 193.009378 138.9
[M-H]- 169.012884 133.4
[M+NH4]+ 188.053983 151.7
[M+K]+ 208.983318 136.3
[M+H-H2O]+ 153.017420 124.3
[M+HCOO]- 215.018361 148.7
[M+CH3COO]- 229.034011 176.2
[M+Na-2H]- 190.994826 134.3
[M]+ 170.01961142 131.4
[M]- 170.02070858 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.