CID 137963927

2-(3-fluorocyclobutyl)ethanethioamide

Structural Information

Molecular Formula
C6H10FNS
SMILES
C1C(CC1F)CC(=S)N
InChI
InChI=1S/C6H10FNS/c7-5-1-4(2-5)3-6(8)9/h4-5H,1-3H2,(H2,8,9)
InChIKey
IUYILYNKEDOUJN-UHFFFAOYSA-N
Compound name
2-(3-fluorocyclobutyl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.0518 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05908 127.4
[M+Na]+ 170.04102 132.2
[M-H]- 146.04452 128.9
[M+NH4]+ 165.08562 141.9
[M+K]+ 186.01496 133.0
[M+H-H2O]+ 130.04906 115.3
[M+HCOO]- 192.05000 142.1
[M+CH3COO]- 206.06565 180.3
[M+Na-2H]- 168.02647 127.2
[M]+ 147.05125 132.3
[M]- 147.05235 132.3
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

No patent data available for this compound.