CID 22106690

174824-73-8

Structural Information

Molecular Formula
C6H4F3NOS
SMILES
CC1=CSC(=N1)C(=O)C(F)(F)F
InChI
InChI=1S/C6H4F3NOS/c1-3-2-12-5(10-3)4(11)6(7,8)9/h2H,1H3
InChIKey
SUEUWJYPFFATSA-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

194.99657 Da
Monoisotopic Mass

2.5
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

literature stripe

Patent stripe

patents stripe