CID 66524844

Ethyl 4-(trifluoromethyl)-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C8H8F3NO2
SMILES
CCOC(=O)C1=CC(=CN1)C(F)(F)F
InChI
InChI=1S/C8H8F3NO2/c1-2-14-7(13)6-3-5(4-12-6)8(9,10)11/h3-4,12H,2H2,1H3
InChIKey
SCWZCVOYWKIAFI-UHFFFAOYSA-N
Compound name
ethyl 4-(trifluoromethyl)-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05072 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05800 147.4
[M+Na]+ 230.03994 154.2
[M+NH4]+ 225.08454 151.6
[M+K]+ 246.01388 152.2
[M-H]- 206.04344 141.8
[M+Na-2H]- 228.02539 148.9
[M]+ 207.05017 146.2
[M]- 207.05127 146.2
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.