CID 3006804

Akos005829636

Structural Information

Molecular Formula
C11H6FNO4
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(O2)[N+](=O)[O-])F
InChI
InChI=1S/C11H6FNO4/c12-8-3-1-7(2-4-8)11(14)9-5-6-10(17-9)13(15)16/h1-6H
InChIKey
CTPKOMWSPYUXDK-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-(5-nitrofuran-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.02809 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.03537 146.2
[M+Na]+ 258.01731 154.2
[M-H]- 234.02081 153.1
[M+NH4]+ 253.06191 163.3
[M+K]+ 273.99125 148.9
[M+H-H2O]+ 218.02535 143.6
[M+HCOO]- 280.02629 171.0
[M+CH3COO]- 294.04194 183.3
[M+Na-2H]- 256.00276 152.4
[M]+ 235.02754 145.6
[M]- 235.02864 145.6
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

No patent data available for this compound.