CID 592189

5-(2,4-difluorophenyl)furan-2-carbaldehyde

Structural Information

Molecular Formula
C11H6F2O2
SMILES
C1=CC(=C(C=C1F)F)C2=CC=C(O2)C=O
InChI
InChI=1S/C11H6F2O2/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-6H
InChIKey
JOKLUPUCUUTVHJ-UHFFFAOYSA-N
Compound name
5-(2,4-difluorophenyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

30
Patents

208.03358 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04086 137.3
[M+Na]+ 231.02280 148.5
[M-H]- 207.02630 143.2
[M+NH4]+ 226.06740 157.1
[M+K]+ 246.99674 146.0
[M+H-H2O]+ 191.03084 129.9
[M+HCOO]- 253.03178 161.2
[M+CH3COO]- 267.04743 184.9
[M+Na-2H]- 229.00825 142.2
[M]+ 208.03303 138.0
[M]- 208.03413 138.0
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