CID 3454837

2,4-dichloro-1,3,5-triphenylbenzene

Structural Information

Molecular Formula
C24H16Cl2
SMILES
C1=CC=C(C=C1)C2=CC(=C(C(=C2Cl)C3=CC=CC=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C24H16Cl2/c25-23-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)24(26)22(23)19-14-8-3-9-15-19/h1-16H
InChIKey
ZQBDQCKMIHCHLI-UHFFFAOYSA-N
Compound name
2,4-dichloro-1,3,5-triphenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

374.0629 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07018 188.9
[M+Na]+ 397.05212 198.7
[M-H]- 373.05562 200.2
[M+NH4]+ 392.09672 201.7
[M+K]+ 413.02606 188.8
[M+H-H2O]+ 357.06016 179.2
[M+HCOO]- 419.06110 202.3
[M+CH3COO]- 433.07675 199.4
[M+Na-2H]- 395.03757 191.6
[M]+ 374.06235 191.5
[M]- 374.06345 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe