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]+ 241.08592 151.3
[M+Na]+ 263.06786 159.8
[M-H]- 239.07136 158.3
[M+NH4]+ 258.11246 168.7
[M+K]+ 279.04180 156.2
[M+H-H2O]+ 223.07590 143.7
[M+HCOO]- 285.07684 176.4
[M+CH3COO]- 299.09249 191.8
[M+Na-2H]- 261.05331 157.4
[M]+ 240.07809 154.3
[M]- 240.07919 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.