CID 24973005

2,2,3,3,4,4,4-heptafluorobutanethioamide

Structural Information

Molecular Formula
C4H2F7NS
SMILES
C(=S)(C(C(C(F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C4H2F7NS/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H2,12,13)
InChIKey
XCHUDVPHMNHSBK-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.97961 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98689 167.6
[M+Na]+ 251.96883 169.1
[M+NH4]+ 247.01343 168.6
[M+K]+ 267.94277 165.7
[M-H]- 227.97233 159.1
[M+Na-2H]- 249.95428 165.1
[M]+ 228.97906 165.2
[M]- 228.98016 165.2
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.