CID 376287

Nsc657001

Structural Information

Molecular Formula
C17H16O4
SMILES
COC(C1(C(=O)C2=CC=CC=C2O1)C3=CC=CC=C3)OC
InChI
InChI=1S/C17H16O4/c1-19-16(20-2)17(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)21-17/h3-11,16H,1-2H3
InChIKey
HHDTWYKCZHZRDR-UHFFFAOYSA-N
Compound name
2-(dimethoxymethyl)-2-phenyl-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.10486 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.112136 163.6
[M+Na]+ 307.094078 171.9
[M-H]- 283.097584 172.3
[M+NH4]+ 302.138683 182.7
[M+K]+ 323.068018 170.4
[M+H-H2O]+ 267.102120 157.0
[M+HCOO]- 329.103061 185.3
[M+CH3COO]- 343.118711 199.0
[M+Na-2H]- 305.079526 168.9
[M]+ 284.10431142 168.0
[M]- 284.10540858 168.0
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.