CID 306227

N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

Structural Information

Molecular Formula
C12H8F3NO2
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C(F)(F)F
InChI
InChI=1S/C12H8F3NO2/c13-12(14,15)8-3-1-4-9(7-8)16-11(17)10-5-2-6-18-10/h1-7H,(H,16,17)
InChIKey
QARNMUZWJBKPSJ-UHFFFAOYSA-N
Compound name
N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

255.05072 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.057996 150.6
[M+Na]+ 278.039938 158.8
[M-H]- 254.043444 154.6
[M+NH4]+ 273.084543 167.5
[M+K]+ 294.013878 156.5
[M+H-H2O]+ 238.047980 141.8
[M+HCOO]- 300.048921 171.5
[M+CH3COO]- 314.064571 193.2
[M+Na-2H]- 276.025386 155.7
[M]+ 255.05017142 147.6
[M]- 255.05126858 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe