CID 3006803

Akos005830190

Structural Information

Molecular Formula
C11H6ClNO4
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(O2)[N+](=O)[O-])Cl
InChI
InChI=1S/C11H6ClNO4/c12-8-3-1-7(2-4-8)11(14)9-5-6-10(17-9)13(15)16/h1-6H
InChIKey
KGVFEZUPWVTNOY-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(5-nitrofuran-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.99854 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00582 152.5
[M+Na]+ 273.98776 160.9
[M-H]- 249.99126 160.3
[M+NH4]+ 269.03236 169.7
[M+K]+ 289.96170 154.4
[M+H-H2O]+ 233.99580 151.5
[M+HCOO]- 295.99674 173.6
[M+CH3COO]- 310.01239 184.4
[M+Na-2H]- 271.97321 158.4
[M]+ 250.99799 155.1
[M]- 250.99909 155.1
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.