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]+ 227.00966 140.6
[M+Na]+ 248.99160 149.1
[M-H]- 224.99510 139.4
[M+NH4]+ 244.03620 159.3
[M+K]+ 264.96554 147.1
[M+H-H2O]+ 208.99964 131.9
[M+HCOO]- 271.00058 156.3
[M+CH3COO]- 285.01623 184.1
[M+Na-2H]- 246.97705 143.1
[M]+ 226.00183 139.5
[M]- 226.00293 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.