CID 3491292

Biphenyl-4-ylacetaldehyde

Structural Information

Molecular Formula
C14H12O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CC=O
InChI
InChI=1S/C14H12O/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKey
OIDMZCMVYZLDLI-UHFFFAOYSA-N
Compound name
2-(4-phenylphenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

224
Patents

196.08882 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09610 141.4
[M+Na]+ 219.07804 149.4
[M-H]- 195.08154 148.2
[M+NH4]+ 214.12264 160.6
[M+K]+ 235.05198 145.4
[M+H-H2O]+ 179.08608 134.4
[M+HCOO]- 241.08702 166.3
[M+CH3COO]- 255.10267 184.4
[M+Na-2H]- 217.06349 148.9
[M]+ 196.08827 141.6
[M]- 196.08937 141.6
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