CID 45792149

2,2,2-trifluoroethyl n-(1,3-thiazol-2-yl)carbamate

Structural Information

Molecular Formula
C6H5F3N2O2S
SMILES
C1=CSC(=N1)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C6H5F3N2O2S/c7-6(8,9)3-13-5(12)11-4-10-1-2-14-4/h1-2H,3H2,(H,10,11,12)
InChIKey
SCKXDWMZFBAHQS-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(1,3-thiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.00238 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.009656 140.6
[M+Na]+ 248.991598 149.1
[M-H]- 224.995104 139.4
[M+NH4]+ 244.036203 159.3
[M+K]+ 264.965538 147.1
[M+H-H2O]+ 208.999640 131.9
[M+HCOO]- 271.000581 156.3
[M+CH3COO]- 285.016231 184.1
[M+Na-2H]- 246.977046 143.1
[M]+ 226.00183142 139.5
[M]- 226.00292858 139.5
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.