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 132.0
[M+Na]+ 208.00144 139.4
[M-H]- 184.00494 128.7
[M+NH4]+ 203.04604 150.2
[M+K]+ 223.97538 136.2
[M+H-H2O]+ 168.00948 124.2
[M+HCOO]- 230.01042 141.1
[M+CH3COO]- 244.02607 174.4
[M+Na-2H]- 205.98689 133.7
[M]+ 185.01167 124.1
[M]- 185.01277 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.