CID 19828056

5187-61-1

Structural Information

Molecular Formula
C4H7F3OS
SMILES
C(CSCC(F)(F)F)O
InChI
InChI=1S/C4H7F3OS/c5-4(6,7)3-9-2-1-8/h8H,1-3H2
InChIKey
YIUJIEYRSACWDN-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethylsulfanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

160.01697 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02425 126.0
[M+Na]+ 183.00619 134.0
[M-H]- 159.00969 121.3
[M+NH4]+ 178.05079 146.7
[M+K]+ 198.98013 131.9
[M+H-H2O]+ 143.01423 119.4
[M+HCOO]- 205.01517 139.0
[M+CH3COO]- 219.03082 172.3
[M+Na-2H]- 180.99164 128.9
[M]+ 160.01642 123.9
[M]- 160.01752 123.9
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