CID 16770357

926213-00-5

Structural Information

Molecular Formula
C12H11FN2O2
SMILES
CC1=C(C=CO1)C(=O)NC2=C(C=CC(=C2)N)F
InChI
InChI=1S/C12H11FN2O2/c1-7-9(4-5-17-7)12(16)15-11-6-8(14)2-3-10(11)13/h2-6H,14H2,1H3,(H,15,16)
InChIKey
HVKTXOUOZJSMPE-UHFFFAOYSA-N
Compound name
N-(5-amino-2-fluorophenyl)-2-methylfuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.08046 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08774 150.1
[M+Na]+ 257.06968 158.7
[M-H]- 233.07318 156.8
[M+NH4]+ 252.11428 167.9
[M+K]+ 273.04362 156.4
[M+H-H2O]+ 217.07772 142.5
[M+HCOO]- 279.07866 175.0
[M+CH3COO]- 293.09431 194.9
[M+Na-2H]- 255.05513 153.4
[M]+ 234.07991 149.1
[M]- 234.08101 149.1
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.