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]+ 285.11214 163.6
[M+Na]+ 307.09408 171.9
[M-H]- 283.09758 172.3
[M+NH4]+ 302.13868 182.7
[M+K]+ 323.06802 170.4
[M+H-H2O]+ 267.10212 157.0
[M+HCOO]- 329.10306 185.3
[M+CH3COO]- 343.11871 199.0
[M+Na-2H]- 305.07953 168.9
[M]+ 284.10431 168.0
[M]- 284.10541 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.