CID 239061

Xenygloxal

Structural Information

Molecular Formula
C16H10O4
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)C=O)C(=O)C=O
InChI
InChI=1S/C16H10O4/c17-9-15(19)13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(20)10-18/h1-10H
InChIKey
ODRKIKHWTZCVCM-UHFFFAOYSA-N
Compound name
2-[4-(4-oxaldehydoylphenyl)phenyl]-2-oxoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

80
Patents

266.05792 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06520 156.1
[M+Na]+ 289.04714 164.0
[M-H]- 265.05064 163.2
[M+NH4]+ 284.09174 172.1
[M+K]+ 305.02108 160.7
[M+H-H2O]+ 249.05518 148.6
[M+HCOO]- 311.05612 179.5
[M+CH3COO]- 325.07177 197.0
[M+Na-2H]- 287.03259 159.5
[M]+ 266.05737 158.4
[M]- 266.05847 158.4
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