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

8
Patents

224.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.090996 148.6
[M+Na]+ 247.072938 156.0
[M-H]- 223.076444 155.3
[M+NH4]+ 242.117543 166.4
[M+K]+ 263.046878 152.2
[M+H-H2O]+ 207.080980 141.3
[M+HCOO]- 269.081921 172.5
[M+CH3COO]- 283.097571 189.4
[M+Na-2H]- 245.058386 154.3
[M]+ 224.08317142 149.2
[M]- 224.08426858 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