CID 228453

4,4'-diphenylbenzophenone

Structural Information

Molecular Formula
C25H18O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H18O/c26-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
InChIKey
QRQHCGWCUVLPSQ-UHFFFAOYSA-N
Compound name
bis(4-phenylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

528
Patents

334.13577 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14305 181.9
[M+Na]+ 357.12499 187.9
[M-H]- 333.12849 193.8
[M+NH4]+ 352.16959 193.9
[M+K]+ 373.09893 180.8
[M+H-H2O]+ 317.13303 171.1
[M+HCOO]- 379.13397 204.0
[M+CH3COO]- 393.14962 192.3
[M+Na-2H]- 355.11044 185.8
[M]+ 334.13522 179.7
[M]- 334.13632 179.7
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