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]+ 259.11174 159.1
[M+Na]+ 281.09368 166.9
[M-H]- 257.09718 166.9
[M+NH4]+ 276.13828 179.6
[M+K]+ 297.06762 161.2
[M+H-H2O]+ 241.10172 151.7
[M+HCOO]- 303.10266 180.1
[M+CH3COO]- 317.11831 171.6
[M+Na-2H]- 279.07913 164.2
[M]+ 258.10391 159.3
[M]- 258.10501 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.