CID 24209035

94668-05-0

Structural Information

Molecular Formula
C20H20O
SMILES
C1CC2CC1C(C2C(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H20O/c21-20(15-9-5-2-6-10-15)19-17-12-11-16(13-17)18(19)14-7-3-1-4-8-14/h1-10,16-19H,11-13H2
InChIKey
KNPCOZLCCIYATA-UHFFFAOYSA-N
Compound name
phenyl-(3-phenyl-2-bicyclo[2.2.1]heptanyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.15143 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15871 167.1
[M+Na]+ 299.14065 172.7
[M-H]- 275.14415 176.0
[M+NH4]+ 294.18525 187.7
[M+K]+ 315.11459 167.3
[M+H-H2O]+ 259.14869 160.2
[M+HCOO]- 321.14963 187.1
[M+CH3COO]- 335.16528 178.6
[M+Na-2H]- 297.12610 166.8
[M]+ 276.15088 164.5
[M]- 276.15198 164.5
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

No patent data available for this compound.