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]+ 271.06888 155.0
[M+Na]+ 293.05082 163.1
[M-H]- 269.05432 158.7
[M+NH4]+ 288.09542 170.9
[M+K]+ 309.02476 160.5
[M+H-H2O]+ 253.05886 145.8
[M+HCOO]- 315.05980 176.1
[M+CH3COO]- 329.07545 198.9
[M+Na-2H]- 291.03627 158.7
[M]+ 270.06105 150.6
[M]- 270.06215 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