CID 299250

81194-76-5

Structural Information

Molecular Formula
C19H14O2
SMILES
CC1(C2=C(C3=CC=CC=C3C=C2)C(=O)O1)C4=CC=CC=C4
InChI
InChI=1S/C19H14O2/c1-19(14-8-3-2-4-9-14)16-12-11-13-7-5-6-10-15(13)17(16)18(20)21-19/h2-12H,1H3
InChIKey
OYKVJLRGRXCCKD-UHFFFAOYSA-N
Compound name
3-methyl-3-phenylbenzo[g][2]benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09937 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10665 162.0
[M+Na]+ 297.08859 172.5
[M-H]- 273.09209 172.0
[M+NH4]+ 292.13319 182.8
[M+K]+ 313.06253 168.0
[M+H-H2O]+ 257.09663 154.8
[M+HCOO]- 319.09757 183.3
[M+CH3COO]- 333.11322 175.5
[M+Na-2H]- 295.07404 168.9
[M]+ 274.09882 163.8
[M]- 274.09992 163.8
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.