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]+ 235.087736 150.1
[M+Na]+ 257.069678 158.7
[M-H]- 233.073184 156.8
[M+NH4]+ 252.114283 167.9
[M+K]+ 273.043618 156.4
[M+H-H2O]+ 217.077720 142.5
[M+HCOO]- 279.078661 175.0
[M+CH3COO]- 293.094311 194.9
[M+Na-2H]- 255.055126 153.4
[M]+ 234.07991142 149.1
[M]- 234.08100858 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.