CID 5375876

40200-69-9

Structural Information

Molecular Formula
C15H12O
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C=O
InChI
InChI=1S/C15H12O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-12H/b7-6+
InChIKey
CLXSBHRRZNBTRT-VOTSOKGWSA-N
Compound name
4-[(E)-2-phenylethenyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

291
Patents

208.08882 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.096096 145.1
[M+Na]+ 231.078038 153.0
[M-H]- 207.081544 151.8
[M+NH4]+ 226.122643 163.8
[M+K]+ 247.051978 148.2
[M+H-H2O]+ 191.086080 138.0
[M+HCOO]- 253.087021 169.8
[M+CH3COO]- 267.102671 185.9
[M+Na-2H]- 229.063486 152.0
[M]+ 208.08827142 144.8
[M]- 208.08936858 144.8
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