CID 2676785

72239-23-7

Structural Information

Molecular Formula
C11H9F3N2OS
SMILES
C1CSC(=N1)NC(=O)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C11H9F3N2OS/c12-11(13,14)8-3-1-2-7(6-8)9(17)16-10-15-4-5-18-10/h1-3,6H,4-5H2,(H,15,16,17)
InChIKey
JFTNBMCRGVAGAE-UHFFFAOYSA-N
Compound name
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.03876 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04604 159.0
[M+Na]+ 297.02798 166.2
[M+NH4]+ 292.07258 164.4
[M+K]+ 313.00192 161.4
[M-H]- 273.03148 157.1
[M+Na-2H]- 295.01343 163.0
[M]+ 274.03821 159.5
[M]- 274.03931 159.5
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