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
2
Annotation Hits

0
References

8
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 134.3
[M+Na]+ 251.96883 142.5
[M-H]- 227.97233 125.5
[M+NH4]+ 247.01343 151.5
[M+K]+ 267.94277 139.5
[M+H-H2O]+ 211.97687 124.2
[M+HCOO]- 273.97781 140.7
[M+CH3COO]- 287.99346 189.6
[M+Na-2H]- 249.95428 135.3
[M]+ 228.97906 122.8
[M]- 228.98016 122.8
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