CID 344787

1,1,3,3-tetraphenyl-propan-2-one

Structural Information

Molecular Formula
C27H22O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H22O/c28-27(25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
InChIKey
IWKHKRWVNCYEOR-UHFFFAOYSA-N
Compound name
1,1,3,3-tetraphenylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

362.16705 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17433 190.3
[M+Na]+ 385.15627 192.7
[M-H]- 361.15977 201.0
[M+NH4]+ 380.20087 200.3
[M+K]+ 401.13021 186.2
[M+H-H2O]+ 345.16431 179.1
[M+HCOO]- 407.16525 209.6
[M+CH3COO]- 421.18090 198.8
[M+Na-2H]- 383.14172 192.3
[M]+ 362.16650 186.7
[M]- 362.16760 186.7
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