CID 3021751

91036-10-1

Structural Information

Molecular Formula
C21H18O
SMILES
C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H18O/c22-21(19-9-5-2-6-10-19)20-15-13-18(14-16-20)12-11-17-7-3-1-4-8-17/h1-10,13-16H,11-12H2
InChIKey
OCIICNRVGIWCOF-UHFFFAOYSA-N
Compound name
phenyl-[4-(2-phenylethyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

286.13577 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14305 168.6
[M+Na]+ 309.12499 174.3
[M-H]- 285.12849 177.5
[M+NH4]+ 304.16959 183.2
[M+K]+ 325.09893 168.5
[M+H-H2O]+ 269.13303 159.3
[M+HCOO]- 331.13397 191.1
[M+CH3COO]- 345.14962 179.8
[M+Na-2H]- 307.11044 173.2
[M]+ 286.13522 167.6
[M]- 286.13632 167.6
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