CID 1268286

480439-09-6

Structural Information

Molecular Formula
C11H6ClNO4
SMILES
C1=CC(=C(C=C1Cl)[N+](=O)[O-])C2=CC=C(O2)C=O
InChI
InChI=1S/C11H6ClNO4/c12-7-1-3-9(10(5-7)13(15)16)11-4-2-8(6-14)17-11/h1-6H
InChIKey
QUHBWTNARIJFIJ-UHFFFAOYSA-N
Compound name
5-(4-chloro-2-nitrophenyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

250.99854 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00582 148.9
[M+Na]+ 273.98776 164.2
[M+NH4]+ 269.03236 157.2
[M+K]+ 289.96170 162.0
[M-H]- 249.99126 154.8
[M+Na-2H]- 271.97321 156.1
[M]+ 250.99799 153.0
[M]- 250.99909 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe