CID 13102743

3-benzylbenzaldehyde

Structural Information

Molecular Formula
C14H12O
SMILES
C1=CC=C(C=C1)CC2=CC(=CC=C2)C=O
InChI
InChI=1S/C14H12O/c15-11-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2
InChIKey
RMOKWSUUUYFPRQ-UHFFFAOYSA-N
Compound name
3-benzylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

196.08882 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

patents stripe