CID 68049

2,2,2-triphenylacetophenone

Structural Information

Molecular Formula
C26H20O
SMILES
C1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H20O/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKey
CFBBKHROQRFCNZ-UHFFFAOYSA-N
Compound name
1,2,2,2-tetraphenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

348.15143 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15871 185.8
[M+Na]+ 371.14065 189.9
[M-H]- 347.14415 197.0
[M+NH4]+ 366.18525 196.7
[M+K]+ 387.11459 183.0
[M+H-H2O]+ 331.14869 175.0
[M+HCOO]- 393.14963 205.8
[M+CH3COO]- 407.16528 195.2
[M+Na-2H]- 369.12610 191.3
[M]+ 348.15088 182.6
[M]- 348.15198 182.6
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