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 139.0
[M+Na]+ 230.03994 147.9
[M-H]- 206.04344 136.4
[M+NH4]+ 225.08454 157.8
[M+K]+ 246.01388 145.5
[M+H-H2O]+ 190.04798 131.1
[M+HCOO]- 252.04892 156.7
[M+CH3COO]- 266.06457 180.7
[M+Na-2H]- 228.02539 142.1
[M]+ 207.05017 135.6
[M]- 207.05127 135.6
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

patents stripe