CID 20117076

2-(3-fluorophenyl)ethanethioamide

Structural Information

Molecular Formula
C8H8FNS
SMILES
C1=CC(=CC(=C1)F)CC(=S)N
InChI
InChI=1S/C8H8FNS/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey
OIQNCQCTDHBVNX-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

169.03615 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04343 131.1
[M+Na]+ 192.02537 139.2
[M-H]- 168.02887 133.3
[M+NH4]+ 187.06997 151.6
[M+K]+ 207.99931 135.4
[M+H-H2O]+ 152.03341 124.6
[M+HCOO]- 214.03435 149.0
[M+CH3COO]- 228.05000 180.0
[M+Na-2H]- 190.01082 133.3
[M]+ 169.03560 128.9
[M]- 169.03670 128.9
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