CID 130836299

6-(trifluoromethyl)thiomorpholin-3-one

Structural Information

Molecular Formula
C5H6F3NOS
SMILES
C1C(SCC(=O)N1)C(F)(F)F
InChI
InChI=1S/C5H6F3NOS/c6-5(7,8)3-1-9-4(10)2-11-3/h3H,1-2H2,(H,9,10)
InChIKey
PRPCGNIOSFRVPD-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)thiomorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.01222 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.01950 140.1
[M+Na]+ 208.00144 146.8
[M+NH4]+ 203.04604 145.7
[M+K]+ 223.97538 141.0
[M-H]- 184.00494 135.8
[M+Na-2H]- 205.98689 141.5
[M]+ 185.01167 139.8
[M]- 185.01277 139.8
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

No patent data available for this compound.