CID 348336

Nsc407604

Structural Information

Molecular Formula
C17H16O3
SMILES
CC1=C2C(=CC=C1)C(OC2=O)(C3=CC=CC=C3C)OC
InChI
InChI=1S/C17H16O3/c1-11-7-4-5-9-13(11)17(19-3)14-10-6-8-12(2)15(14)16(18)20-17/h4-10H,1-3H3
InChIKey
VVJPTHRFLICXKG-UHFFFAOYSA-N
Compound name
3-methoxy-7-methyl-3-(2-methylphenyl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10995 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11723 158.9
[M+Na]+ 291.09917 169.6
[M-H]- 267.10267 168.4
[M+NH4]+ 286.14377 179.5
[M+K]+ 307.07311 167.0
[M+H-H2O]+ 251.10721 152.9
[M+HCOO]- 313.10815 181.4
[M+CH3COO]- 327.12380 198.4
[M+Na-2H]- 289.08462 164.1
[M]+ 268.10940 163.3
[M]- 268.11050 163.3
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.