CID 252693

180037-65-4

Structural Information

Molecular Formula
C14H12O2
SMILES
C1CC(=O)OC1C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C14H12O2/c15-14-8-7-13(16-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2
InChIKey
RTHDLBGPIRDCFJ-UHFFFAOYSA-N
Compound name
5-naphthalen-2-yloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

212.08372 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.090996 143.9
[M+Na]+ 235.072938 152.2
[M-H]- 211.076444 152.3
[M+NH4]+ 230.117543 164.1
[M+K]+ 251.046878 149.5
[M+H-H2O]+ 195.080980 137.7
[M+HCOO]- 257.081921 165.9
[M+CH3COO]- 271.097571 157.7
[M+Na-2H]- 233.058386 149.8
[M]+ 212.08317142 143.2
[M]- 212.08426858 143.2
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