CID 43543991

2,2,2-trifluoroethyl n-(1-ethyl-1h-pyrazol-4-yl)carbamate

Structural Information

Molecular Formula
C8H10F3N3O2
SMILES
CCN1C=C(C=N1)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C8H10F3N3O2/c1-2-14-4-6(3-12-14)13-7(15)16-5-8(9,10)11/h3-4H,2,5H2,1H3,(H,13,15)
InChIKey
DOMQBKMQXJNWPE-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(1-ethylpyrazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.07251 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07979 146.7
[M+Na]+ 260.06173 155.0
[M-H]- 236.06523 144.1
[M+NH4]+ 255.10633 163.3
[M+K]+ 276.03567 153.4
[M+H-H2O]+ 220.06977 137.0
[M+HCOO]- 282.07071 165.6
[M+CH3COO]- 296.08636 190.3
[M+Na-2H]- 258.04718 150.7
[M]+ 237.07196 144.8
[M]- 237.07306 144.8
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.