CID 3090117

2,2'-(tetramethylenedioxy)dibenzaldehyde

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 168.4
[M+Na]+ 321.10972 175.3
[M-H]- 297.11322 174.7
[M+NH4]+ 316.15432 183.2
[M+K]+ 337.08366 171.6
[M+H-H2O]+ 281.11776 159.8
[M+HCOO]- 343.11870 192.6
[M+CH3COO]- 357.13435 202.8
[M+Na-2H]- 319.09517 172.8
[M]+ 298.11995 173.8
[M]- 298.12105 173.8
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