CID 64281285

3-[3-(trifluoromethyl)phenyl]thiomorpholine

Structural Information

Molecular Formula
C11H12F3NS
SMILES
C1CSCC(N1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C11H12F3NS/c12-11(13,14)9-3-1-2-8(6-9)10-7-16-5-4-15-10/h1-3,6,10,15H,4-5,7H2
InChIKey
HUNSQMSQZADNKP-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)phenyl]thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

247.06425 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07153 149.3
[M+Na]+ 270.05347 155.7
[M-H]- 246.05697 148.7
[M+NH4]+ 265.09807 164.9
[M+K]+ 286.02741 150.3
[M+H-H2O]+ 230.06151 139.9
[M+HCOO]- 292.06245 157.9
[M+CH3COO]- 306.07810 186.9
[M+Na-2H]- 268.03892 150.7
[M]+ 247.06370 140.6
[M]- 247.06480 140.6
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