CID 605367

5905-01-1

Structural Information

Molecular Formula
C10H6O4
SMILES
C1=C(OC(=C1)C2=CC=C(O2)C=O)C=O
InChI
InChI=1S/C10H6O4/c11-5-7-1-3-9(13-7)10-4-2-8(6-12)14-10/h1-6H
InChIKey
ZTHGULBLQLJTSW-UHFFFAOYSA-N
Compound name
5-(5-formylfuran-2-yl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

190.02661 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03389 133.3
[M+Na]+ 213.01583 144.9
[M-H]- 189.01933 142.8
[M+NH4]+ 208.06043 154.1
[M+K]+ 228.98977 145.1
[M+H-H2O]+ 173.02387 128.9
[M+HCOO]- 235.02481 161.4
[M+CH3COO]- 249.04046 179.0
[M+Na-2H]- 211.00128 140.1
[M]+ 190.02606 140.4
[M]- 190.02716 140.4
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