CID 69980

Furan-2,5-dicarbaldehyde

Structural Information

Molecular Formula
C6H4O3
SMILES
C1=C(OC(=C1)C=O)C=O
InChI
InChI=1S/C6H4O3/c7-3-5-1-2-6(4-8)9-5/h1-4H
InChIKey
PXJJKVNIMAZHCB-UHFFFAOYSA-N
Compound name
furan-2,5-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

2510
Patents

124.016045 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.02332 117.8
[M+Na]+ 147.00526 127.9
[M-H]- 123.00877 122.8
[M+NH4]+ 142.04987 140.7
[M+K]+ 162.97920 128.3
[M+H-H2O]+ 107.01330 113.4
[M+HCOO]- 169.01425 144.3
[M+CH3COO]- 183.02990 167.7
[M+Na-2H]- 144.99071 125.9
[M]+ 124.01550 121.3
[M]- 124.01659 121.3
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