CID 362081

Nsc625604

Structural Information

Molecular Formula
C21H16O2
SMILES
CC1=C2CCC3(C2=CC=C1)C4=C(C5=CC=CC=C5C=C4)C(=O)O3
InChI
InChI=1S/C21H16O2/c1-13-5-4-8-17-15(13)11-12-21(17)18-10-9-14-6-2-3-7-16(14)19(18)20(22)23-21/h2-10H,11-12H2,1H3
InChIKey
HRYZJOKWAXKZTM-UHFFFAOYSA-N
Compound name
7-methylspiro[1,2-dihydroindene-3,3'-benzo[g][2]benzofuran]-1'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.11502 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12230 170.0
[M+Na]+ 323.10424 181.2
[M-H]- 299.10774 180.1
[M+NH4]+ 318.14884 193.0
[M+K]+ 339.07818 175.4
[M+H-H2O]+ 283.11228 163.7
[M+HCOO]- 345.11322 189.4
[M+CH3COO]- 359.12887 183.1
[M+Na-2H]- 321.08969 173.9
[M]+ 300.11447 171.6
[M]- 300.11557 171.6
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.