CID 145757

4657-89-0

Structural Information

Molecular Formula
C19H14O
SMILES
C1CC2=CC=C(C3=CC=CC1=C23)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H14O/c20-19(15-5-2-1-3-6-15)17-12-11-14-10-9-13-7-4-8-16(17)18(13)14/h1-8,11-12H,9-10H2
InChIKey
YQRRSORFUCNQAC-UHFFFAOYSA-N
Compound name
1,2-dihydroacenaphthylen-5-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

102
Patents

258.10446 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.111736 159.1
[M+Na]+ 281.093678 166.9
[M-H]- 257.097184 166.9
[M+NH4]+ 276.138283 179.6
[M+K]+ 297.067618 161.2
[M+H-H2O]+ 241.101720 151.7
[M+HCOO]- 303.102661 180.1
[M+CH3COO]- 317.118311 171.6
[M+Na-2H]- 279.079126 164.2
[M]+ 258.10391142 159.3
[M]- 258.10500858 159.3
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