CID 43124087

1-(2-fluorophenyl)ethane-1-thiol

Structural Information

Molecular Formula
C8H9FS
SMILES
CC(C1=CC=CC=C1F)S
InChI
InChI=1S/C8H9FS/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3
InChIKey
PVNNZGBBCBFIDL-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

156.0409 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04818 130.1
[M+Na]+ 179.03012 142.7
[M+NH4]+ 174.07472 139.9
[M+K]+ 195.00406 134.0
[M-H]- 155.03362 132.1
[M+Na-2H]- 177.01557 136.9
[M]+ 156.04035 133.0
[M]- 156.04145 133.0
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