CID 3054946

5-acenaphtheneacetic acid, 1-phenyl-

Structural Information

Molecular Formula
C20H16O2
SMILES
C1C(C2=CC=CC3=C(C=CC1=C32)CC(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C20H16O2/c21-19(22)12-14-9-10-15-11-18(13-5-2-1-3-6-13)17-8-4-7-16(14)20(15)17/h1-10,18H,11-12H2,(H,21,22)
InChIKey
XRLCPYOJAVEXCC-UHFFFAOYSA-N
Compound name
2-(1-phenyl-1,2-dihydroacenaphthylen-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

288.11502 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12230 167.1
[M+Na]+ 311.10424 174.7
[M-H]- 287.10774 173.7
[M+NH4]+ 306.14884 185.9
[M+K]+ 327.07818 168.7
[M+H-H2O]+ 271.11228 159.9
[M+HCOO]- 333.11322 186.4
[M+CH3COO]- 347.12887 178.6
[M+Na-2H]- 309.08969 170.8
[M]+ 288.11447 167.7
[M]- 288.11557 167.7
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.