CID 154729526

Tert-butyl n-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate

Structural Information

Molecular Formula
C10H13F3N2O3S
SMILES
CC(C)(C)OC(=O)NC1=CN=C(S1)OCC(F)(F)F
InChI
InChI=1S/C10H13F3N2O3S/c1-9(2,3)18-7(16)15-6-4-14-8(19-6)17-5-10(11,12)13/h4H,5H2,1-3H3,(H,15,16)
InChIKey
RUGSSCUIPXAGEY-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0599 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06718 162.5
[M+Na]+ 321.04912 170.2
[M-H]- 297.05262 161.2
[M+NH4]+ 316.09372 178.6
[M+K]+ 337.02306 168.4
[M+H-H2O]+ 281.05716 153.9
[M+HCOO]- 343.05810 175.5
[M+CH3COO]- 357.07375 199.1
[M+Na-2H]- 319.03457 163.8
[M]+ 298.05935 163.9
[M]- 298.06045 163.9
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

No patent data available for this compound.