CID 3015365

(triphenylbuta-1,3-dienyl)benzene

Structural Information

Molecular Formula
C28H22
SMILES
C=C(C1=CC=CC=C1)C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H22/c1-22(23-14-6-2-7-15-23)27(24-16-8-3-9-17-24)28(25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21H,1H2
InChIKey
KLZOQPDGMFKODC-UHFFFAOYSA-N
Compound name
1,1,3-triphenylbuta-1,3-dien-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9283
Patents

358.17215 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17943 190.4
[M+Na]+ 381.16137 192.9
[M-H]- 357.16487 201.0
[M+NH4]+ 376.20597 200.6
[M+K]+ 397.13531 184.8
[M+H-H2O]+ 341.16941 179.3
[M+HCOO]- 403.17035 209.3
[M+CH3COO]- 417.18600 198.7
[M+Na-2H]- 379.14682 191.9
[M]+ 358.17160 185.0
[M]- 358.17270 185.0
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