CID 362116

Nsc625645

Structural Information

Molecular Formula
C15H12O2
SMILES
CC1=C(C2=C(COC2=O)C=C1)C3=CC=CC=C3
InChI
InChI=1S/C15H12O2/c1-10-7-8-12-9-17-15(16)14(12)13(10)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey
DEDGOEWLOGAVSE-UHFFFAOYSA-N
Compound name
6-methyl-7-phenyl-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.08372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09100 147.1
[M+Na]+ 247.07294 157.0
[M-H]- 223.07644 156.2
[M+NH4]+ 242.11754 167.3
[M+K]+ 263.04688 153.9
[M+H-H2O]+ 207.08098 141.0
[M+HCOO]- 269.08192 170.2
[M+CH3COO]- 283.09757 161.5
[M+Na-2H]- 245.05839 152.8
[M]+ 224.08317 148.7
[M]- 224.08427 148.7
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.