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 155.1
[M+Na]+ 297.02798 163.1
[M-H]- 273.03148 156.9
[M+NH4]+ 292.07258 171.9
[M+K]+ 313.00192 158.9
[M+H-H2O]+ 257.03602 145.6
[M+HCOO]- 319.03696 169.2
[M+CH3COO]- 333.05261 194.1
[M+Na-2H]- 295.01343 156.0
[M]+ 274.03821 151.3
[M]- 274.03931 151.3
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