CID 90302165

4-(1,2,2-triphenylvinyl)benzaldehyde

Structural Information

Molecular Formula
C27H20O
SMILES
C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)C=O)C4=CC=CC=C4
InChI
InChI=1S/C27H20O/c28-20-21-16-18-25(19-17-21)27(24-14-8-3-9-15-24)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-20H
InChIKey
NUUXDUCNYZQXNU-UHFFFAOYSA-N
Compound name
4-(1,2,2-triphenylethenyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

360.15143 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15871 190.0
[M+Na]+ 383.14065 194.2
[M-H]- 359.14415 201.2
[M+NH4]+ 378.18525 200.5
[M+K]+ 399.11459 186.5
[M+H-H2O]+ 343.14869 178.9
[M+HCOO]- 405.14963 210.5
[M+CH3COO]- 419.16528 199.1
[M+Na-2H]- 381.12610 192.4
[M]+ 360.15088 186.6
[M]- 360.15198 186.6
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