CID 1229692

64932-39-4

Structural Information

Molecular Formula
C6H5F3N2OS
SMILES
CC(=O)NC1=NC(=CS1)C(F)(F)F
InChI
InChI=1S/C6H5F3N2OS/c1-3(12)10-5-11-4(2-13-5)6(7,8)9/h2H,1H3,(H,10,11,12)
InChIKey
XPLIDDGPWBSSCO-UHFFFAOYSA-N
Compound name
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

210.00746 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01474 137.0
[M+Na]+ 232.99668 146.5
[M-H]- 209.00018 136.2
[M+NH4]+ 228.04128 156.7
[M+K]+ 248.97062 144.0
[M+H-H2O]+ 193.00472 128.7
[M+HCOO]- 255.00566 152.4
[M+CH3COO]- 269.02131 183.9
[M+Na-2H]- 230.98213 138.7
[M]+ 210.00691 134.9
[M]- 210.00801 134.9
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