CID 71027

3,3-diphenylacrylaldehyde

Structural Information

Molecular Formula
C15H12O
SMILES
C1=CC=C(C=C1)C(=CC=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKey
MWAFWBDWAWZJGK-UHFFFAOYSA-N
Compound name
3,3-diphenylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

763
Patents

208.08882 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09610 145.9
[M+Na]+ 231.07804 152.5
[M-H]- 207.08154 152.2
[M+NH4]+ 226.12264 164.2
[M+K]+ 247.05198 148.2
[M+H-H2O]+ 191.08608 138.7
[M+HCOO]- 253.08702 169.6
[M+CH3COO]- 267.10267 185.7
[M+Na-2H]- 229.06349 152.3
[M]+ 208.08827 144.6
[M]- 208.08937 144.6
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