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]+ 186.019496 132.0
[M+Na]+ 208.001438 139.4
[M-H]- 184.004944 128.7
[M+NH4]+ 203.046043 150.2
[M+K]+ 223.975378 136.2
[M+H-H2O]+ 168.009480 124.2
[M+HCOO]- 230.010421 141.1
[M+CH3COO]- 244.026071 174.4
[M+Na-2H]- 205.986886 133.7
[M]+ 185.01167142 124.1
[M]- 185.01276858 124.1
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.