CID 3537941

2-([1,1'-biphenyl]-4-yl)malonaldehyde

Structural Information

Molecular Formula
C15H12O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C=O)C=O
InChI
InChI=1S/C15H12O2/c16-10-15(11-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,15H
InChIKey
XUUQGMCYFDBDJI-UHFFFAOYSA-N
Compound name
2-(4-phenylphenyl)propanedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

224.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09100 148.6
[M+Na]+ 247.07294 156.0
[M-H]- 223.07644 155.3
[M+NH4]+ 242.11754 166.4
[M+K]+ 263.04688 152.2
[M+H-H2O]+ 207.08098 141.3
[M+HCOO]- 269.08192 172.5
[M+CH3COO]- 283.09757 189.4
[M+Na-2H]- 245.05839 154.3
[M]+ 224.08317 149.2
[M]- 224.08427 149.2
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

patents stripe