CID 50989389

2,2,2-trifluoroethyl n-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate

Structural Information

Molecular Formula
C7H4F6N2O2S
SMILES
C1=C(N=C(S1)NC(=O)OCC(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7H4F6N2O2S/c8-6(9,10)2-17-5(16)15-4-14-3(1-18-4)7(11,12)13/h1H,2H2,(H,14,15,16)
InChIKey
WPIQMBCZSKMWBH-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.98978 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.99706 151.6
[M+Na]+ 316.97900 160.8
[M-H]- 292.98250 146.7
[M+NH4]+ 312.02360 167.5
[M+K]+ 332.95294 157.8
[M+H-H2O]+ 276.98704 140.7
[M+HCOO]- 338.98798 162.1
[M+CH3COO]- 353.00363 196.6
[M+Na-2H]- 314.96445 152.5
[M]+ 293.98923 146.7
[M]- 293.99033 146.7
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.