CID 13360361

1,1,1-trifluoro-2-(methylsulfanyl)ethane

Structural Information

Molecular Formula
C3H5F3S
SMILES
CSCC(F)(F)F
InChI
InChI=1S/C3H5F3S/c1-7-2-3(4,5)6/h2H2,1H3
InChIKey
BFCDSMUHBKMJDB-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2-methylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

306
Patents

130.00641 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.01369 117.4
[M+Na]+ 152.99563 126.3
[M-H]- 128.99913 114.5
[M+NH4]+ 148.04023 140.1
[M+K]+ 168.96957 125.2
[M+H-H2O]+ 113.00367 110.9
[M+HCOO]- 175.00461 132.0
[M+CH3COO]- 189.02026 170.2
[M+Na-2H]- 150.98108 121.2
[M]+ 130.00586 115.4
[M]- 130.00696 115.4
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