CID 2844001

1(3h)-isobenzofuranone, 3-[(2-methylphenyl)methylene]-

Structural Information

Molecular Formula
C16H12O2
SMILES
CC1=CC=CC=C1C=C2C3=CC=CC=C3C(=O)O2
InChI
InChI=1S/C16H12O2/c1-11-6-2-3-7-12(11)10-15-13-8-4-5-9-14(13)16(17)18-15/h2-10H,1H3
InChIKey
TUFDVWFQGACALX-UHFFFAOYSA-N
Compound name
3-[(2-methylphenyl)methylidene]-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.08372 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09100 151.6
[M+Na]+ 259.07294 167.0
[M+NH4]+ 254.11754 161.2
[M+K]+ 275.04688 160.5
[M-H]- 235.07644 157.8
[M+Na-2H]- 257.05839 159.3
[M]+ 236.08317 155.7
[M]- 236.08427 155.7
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

patents stripe