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

20
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 126.8
[M+Na]+ 179.03012 135.6
[M-H]- 155.03362 129.9
[M+NH4]+ 174.07472 148.7
[M+K]+ 195.00406 133.2
[M+H-H2O]+ 139.03816 120.8
[M+HCOO]- 201.03910 144.3
[M+CH3COO]- 215.05475 177.0
[M+Na-2H]- 177.01557 129.8
[M]+ 156.04035 127.3
[M]- 156.04145 127.3
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