CID 82010156

2-(2,2-difluoroethoxy)ethane-1-thiol

Structural Information

Molecular Formula
C4H8F2OS
SMILES
C(CS)OCC(F)F
InChI
InChI=1S/C4H8F2OS/c5-4(6)3-7-1-2-8/h4,8H,1-3H2
InChIKey
VHNHRCUXBLSAIZ-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethoxy)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

142.0264 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03368 122.9
[M+Na]+ 165.01562 130.6
[M-H]- 141.01912 120.9
[M+NH4]+ 160.06022 144.9
[M+K]+ 180.98956 130.1
[M+H-H2O]+ 125.02366 116.5
[M+HCOO]- 187.02460 138.9
[M+CH3COO]- 201.04025 173.5
[M+Na-2H]- 163.00107 125.1
[M]+ 142.02585 123.9
[M]- 142.02695 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