CID 16227543

N-[4-amino-3-(trifluoromethyl)phenyl]furan-2-carboxamide

Structural Information

Molecular Formula
C12H9F3N2O2
SMILES
C1=COC(=C1)C(=O)NC2=CC(=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C12H9F3N2O2/c13-12(14,15)8-6-7(3-4-9(8)16)17-11(18)10-2-1-5-19-10/h1-6H,16H2,(H,17,18)
InChIKey
MFDLOLOPZMOQDW-UHFFFAOYSA-N
Compound name
N-[4-amino-3-(trifluoromethyl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

270.0616 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.068876 155.0
[M+Na]+ 293.050818 163.1
[M-H]- 269.054324 158.7
[M+NH4]+ 288.095423 170.9
[M+K]+ 309.024758 160.5
[M+H-H2O]+ 253.058860 145.8
[M+HCOO]- 315.059801 176.1
[M+CH3COO]- 329.075451 198.9
[M+Na-2H]- 291.036266 158.7
[M]+ 270.06105142 150.6
[M]- 270.06214858 150.6
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