CID 15959075

(3z)-3-benzylidene-5-methyl-isobenzofuran-1-one

Structural Information

Molecular Formula
C16H12O2
SMILES
CC1=CC\2=C(C=C1)C(=O)O/C2=C\C3=CC=CC=C3
InChI
InChI=1S/C16H12O2/c1-11-7-8-13-14(9-11)15(18-16(13)17)10-12-5-3-2-4-6-12/h2-10H,1H3/b15-10-
InChIKey
IXXCCFHHCSNURP-GDNBJRDFSA-N
Compound name
(3Z)-3-benzylidene-5-methyl-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 151.0
[M+Na]+ 259.07294 160.8
[M-H]- 235.07644 160.0
[M+NH4]+ 254.11754 170.7
[M+K]+ 275.04688 156.9
[M+H-H2O]+ 219.08098 144.8
[M+HCOO]- 281.08192 174.0
[M+CH3COO]- 295.09757 165.0
[M+Na-2H]- 257.05839 156.2
[M]+ 236.08317 152.2
[M]- 236.08427 152.2
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.