CID 3054947

71823-45-5

Structural Information

Molecular Formula
C21H18O2
SMILES
CC(C1=C2C=CC=C3C2=C(CC3C4=CC=CC=C4)C=C1)C(=O)O
InChI
InChI=1S/C21H18O2/c1-13(21(22)23)16-11-10-15-12-19(14-6-3-2-4-7-14)18-9-5-8-17(16)20(15)18/h2-11,13,19H,12H2,1H3,(H,22,23)
InChIKey
WSUNJDMZZOKJJT-UHFFFAOYSA-N
Compound name
2-(1-phenyl-1,2-dihydroacenaphthylen-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

302.13068 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13796 170.4
[M+Na]+ 325.11990 184.9
[M+NH4]+ 320.16450 180.2
[M+K]+ 341.09384 178.4
[M-H]- 301.12340 175.2
[M+Na-2H]- 323.10535 176.9
[M]+ 302.13013 174.0
[M]- 302.13123 174.0
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