CID 18668729

2-(4-fluorophenyl)ethane-1-thiol

Structural Information

Molecular Formula
C8H9FS
SMILES
C1=CC(=CC=C1CCS)F
InChI
InChI=1S/C8H9FS/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
InChIKey
VFYQSLCBRGDSNO-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

156.0409 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04818 126.6
[M+Na]+ 179.03012 135.7
[M-H]- 155.03362 129.5
[M+NH4]+ 174.07472 148.6
[M+K]+ 195.00406 132.8
[M+H-H2O]+ 139.03816 120.5
[M+HCOO]- 201.03910 145.1
[M+CH3COO]- 215.05475 176.2
[M+Na-2H]- 177.01557 130.7
[M]+ 156.04035 127.6
[M]- 156.04145 127.6
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