CID 74290

Propadiene, tetraphenyl-

Structural Information

Molecular Formula
C27H20
SMILES
C1=CC=C(C=C1)C(=C=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H20/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H
InChIKey
IFDRDSWHWMTLKM-UHFFFAOYSA-N
Compound name
1,3,3-triphenylpropa-1,2-dienylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

344.1565 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16378 186.6
[M+Na]+ 367.14572 190.0
[M-H]- 343.14922 197.3
[M+NH4]+ 362.19032 197.5
[M+K]+ 383.11966 181.5
[M+H-H2O]+ 327.15376 175.6
[M+HCOO]- 389.15470 206.9
[M+CH3COO]- 403.17035 195.4
[M+Na-2H]- 365.13117 189.7
[M]+ 344.15595 181.3
[M]- 344.15705 181.3
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