CID 759212

5-(3-chloro-4-fluorophenyl)furan-2-carbaldehyde

Structural Information

Molecular Formula
C11H6ClFO2
SMILES
C1=CC(=C(C=C1C2=CC=C(O2)C=O)Cl)F
InChI
InChI=1S/C11H6ClFO2/c12-9-5-7(1-3-10(9)13)11-4-2-8(6-14)15-11/h1-6H
InChIKey
IKGCOVURJWXEST-UHFFFAOYSA-N
Compound name
5-(3-chloro-4-fluorophenyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.00403 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.01131 143.7
[M+Na]+ 246.99325 158.6
[M+NH4]+ 242.03785 152.4
[M+K]+ 262.96719 152.8
[M-H]- 222.99675 147.5
[M+Na-2H]- 244.97870 151.3
[M]+ 224.00348 147.2
[M]- 224.00458 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.