CID 12836365

Bis(2,2,2-trifluoroethoxy)methanethione

Structural Information

Molecular Formula
C5H4F6O2S
SMILES
C(C(F)(F)F)OC(=S)OCC(F)(F)F
InChI
InChI=1S/C5H4F6O2S/c6-4(7,8)1-12-3(14)13-2-5(9,10)11/h1-2H2
InChIKey
KLHBTFFZKRVEHH-UHFFFAOYSA-N
Compound name
bis(2,2,2-trifluoroethoxy)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

241.98361 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.99089 139.7
[M+Na]+ 264.97283 148.2
[M-H]- 240.97633 132.6
[M+NH4]+ 260.01743 157.5
[M+K]+ 280.94677 146.3
[M+H-H2O]+ 224.98087 130.2
[M+HCOO]- 286.98181 148.7
[M+CH3COO]- 300.99746 187.0
[M+Na-2H]- 262.95828 140.9
[M]+ 241.98306 135.2
[M]- 241.98416 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe