CID 24756333

1,3,5-tris(4-formylphenyl)benzene

Structural Information

Molecular Formula
C27H18O3
SMILES
C1=CC(=CC=C1C=O)C2=CC(=CC(=C2)C3=CC=C(C=C3)C=O)C4=CC=C(C=C4)C=O
InChI
InChI=1S/C27H18O3/c28-16-19-1-7-22(8-2-19)25-13-26(23-9-3-20(17-29)4-10-23)15-27(14-25)24-11-5-21(18-30)6-12-24/h1-18H
InChIKey
ZCJZVMNBJKPQEV-UHFFFAOYSA-N
Compound name
4-[3,5-bis(4-formylphenyl)phenyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

326
Patents

390.12558 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13286 196.3
[M+Na]+ 413.11480 204.6
[M-H]- 389.11830 209.1
[M+NH4]+ 408.15940 206.6
[M+K]+ 429.08874 197.2
[M+H-H2O]+ 373.12284 184.7
[M+HCOO]- 435.12378 219.3
[M+CH3COO]- 449.13943 206.7
[M+Na-2H]- 411.10025 198.0
[M]+ 390.12503 197.9
[M]- 390.12613 197.9
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