CID 53402794

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethan-1-one

Structural Information

Molecular Formula
C6H4F3NOS
SMILES
CC(=O)C1=NC(=CS1)C(F)(F)F
InChI
InChI=1S/C6H4F3NOS/c1-3(11)5-10-4(2-12-5)6(7,8)9/h2H,1H3
InChIKey
VGGMVWKKEMAJJF-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

194.99657 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.00385 132.8
[M+Na]+ 217.98579 143.2
[M-H]- 193.98929 132.2
[M+NH4]+ 213.03039 153.5
[M+K]+ 233.95973 141.0
[M+H-H2O]+ 177.99383 125.1
[M+HCOO]- 239.99477 147.3
[M+CH3COO]- 254.01042 179.9
[M+Na-2H]- 215.97124 134.0
[M]+ 194.99602 131.7
[M]- 194.99712 131.7
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

patents stripe