CID 129912647

2,2,2-trifluoroethyl n-(1,5-dimethyl-1h-pyrazol-3-yl)carbamate

Structural Information

Molecular Formula
C8H10F3N3O2
SMILES
CC1=CC(=NN1C)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C8H10F3N3O2/c1-5-3-6(13-14(5)2)12-7(15)16-4-8(9,10)11/h3H,4H2,1-2H3,(H,12,13,15)
InChIKey
WIMZJUOWDZWHST-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(1,5-dimethylpyrazol-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.07251 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.079786 146.6
[M+Na]+ 260.061728 156.0
[M-H]- 236.065234 144.5
[M+NH4]+ 255.106333 163.6
[M+K]+ 276.035668 154.3
[M+H-H2O]+ 220.069770 137.3
[M+HCOO]- 282.070711 165.6
[M+CH3COO]- 296.086361 191.5
[M+Na-2H]- 258.047176 149.9
[M]+ 237.07196142 145.1
[M]- 237.07305858 145.1
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.