CID 3090117

77354-98-4

Structural Information

Molecular Formula
C18H18O4
SMILES
C1=CC=C(C(=C1)C=O)OCCCCOC2=CC=CC=C2C=O
InChI
InChI=1S/C18H18O4/c19-13-15-7-1-3-9-17(15)21-11-5-6-12-22-18-10-4-2-8-16(18)14-20/h1-4,7-10,13-14H,5-6,11-12H2
InChIKey
WNEFNKQASOEBOX-UHFFFAOYSA-N
Compound name
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

42
Patents

298.1205 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12778 169.6
[M+Na]+ 321.10972 183.8
[M+NH4]+ 316.15432 176.8
[M+K]+ 337.08366 175.3
[M-H]- 297.11322 173.2
[M+Na-2H]- 319.09517 177.9
[M]+ 298.11995 172.7
[M]- 298.12105 172.7
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