CID 156409572

5-(2,2,2-trifluoroethoxy)-1,3-thiazole

Structural Information

Molecular Formula
C5H4F3NOS
SMILES
C1=C(SC=N1)OCC(F)(F)F
InChI
InChI=1S/C5H4F3NOS/c6-5(7,8)2-10-4-1-9-3-11-4/h1,3H,2H2
InChIKey
OZXSOHQDVLRMBU-UHFFFAOYSA-N
Compound name
5-(2,2,2-trifluoroethoxy)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

182.99657 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.00385 129.5
[M+Na]+ 205.98579 139.5
[M-H]- 181.98929 128.5
[M+NH4]+ 201.03039 150.5
[M+K]+ 221.95973 137.7
[M+H-H2O]+ 165.99383 121.5
[M+HCOO]- 227.99477 145.2
[M+CH3COO]- 242.01042 175.9
[M+Na-2H]- 203.97124 132.9
[M]+ 182.99602 129.0
[M]- 182.99712 129.0
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

No patent data available for this compound.