CID 24209036

100146-34-7

Structural Information

Molecular Formula
C20H18O
SMILES
C1C2C=CC1C(C2C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H18O/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/h1-12,16-19H,13H2
InChIKey
YNDUNQKBWXIVNT-UHFFFAOYSA-N
Compound name
phenyl-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

274.13577 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14305 165.8
[M+Na]+ 297.12499 172.5
[M-H]- 273.12849 175.2
[M+NH4]+ 292.16959 186.6
[M+K]+ 313.09893 167.0
[M+H-H2O]+ 257.13303 159.1
[M+HCOO]- 319.13397 187.3
[M+CH3COO]- 333.14962 178.0
[M+Na-2H]- 295.11044 166.6
[M]+ 274.13522 164.8
[M]- 274.13632 164.8
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