CID 43286730

4-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazol-2-one

Structural Information

Molecular Formula
C10H6F3NOS
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CSC(=O)N2
InChI
InChI=1S/C10H6F3NOS/c11-10(12,13)7-3-1-2-6(4-7)8-5-16-9(15)14-8/h1-5H,(H,14,15)
InChIKey
XEMOEJIQHRVMCB-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

245.01222 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01950 145.6
[M+Na]+ 268.00144 156.7
[M-H]- 244.00494 147.0
[M+NH4]+ 263.04604 163.7
[M+K]+ 283.97538 151.1
[M+H-H2O]+ 228.00948 137.2
[M+HCOO]- 290.01042 160.0
[M+CH3COO]- 304.02607 185.1
[M+Na-2H]- 265.98689 147.2
[M]+ 245.01167 142.9
[M]- 245.01277 142.9
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