CID 146082127

2-(benzyloxy)benzene-1,4-dicarbaldehyde

Structural Information

Molecular Formula
C15H12O3
SMILES
C1=CC=C(C=C1)COC2=C(C=CC(=C2)C=O)C=O
InChI
InChI=1S/C15H12O3/c16-9-13-6-7-14(10-17)15(8-13)18-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKey
YGAXQMVZTBGZNZ-UHFFFAOYSA-N
Compound name
2-phenylmethoxyterephthalaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.085916 151.3
[M+Na]+ 263.067858 159.8
[M-H]- 239.071364 158.3
[M+NH4]+ 258.112463 168.7
[M+K]+ 279.041798 156.2
[M+H-H2O]+ 223.075900 143.7
[M+HCOO]- 285.076841 176.4
[M+CH3COO]- 299.092491 191.8
[M+Na-2H]- 261.053306 157.4
[M]+ 240.07809142 154.3
[M]- 240.07918858 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.