CID 91618373

2-(trifluoromethyl)thiomorpholine

Structural Information

Molecular Formula
C5H8F3NS
SMILES
C1CSC(CN1)C(F)(F)F
InChI
InChI=1S/C5H8F3NS/c6-5(7,8)4-3-9-1-2-10-4/h4,9H,1-3H2
InChIKey
VDMYKWRTPIJCPI-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.03296 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04024 129.7
[M+Na]+ 194.02218 136.0
[M-H]- 170.02568 126.0
[M+NH4]+ 189.06678 148.3
[M+K]+ 209.99612 133.1
[M+H-H2O]+ 154.03022 121.7
[M+HCOO]- 216.03116 138.4
[M+CH3COO]- 230.04681 172.2
[M+Na-2H]- 192.00763 131.9
[M]+ 171.03241 120.7
[M]- 171.03351 120.7
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.