CID 367151

7421-76-3

Structural Information

Molecular Formula

C₁₇H₁₂O₃

SMILES

COC1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H12O3/c1-20-12-8-6-11(7-9-12)10-15-16(18)13-4-2-3-5-14(13)17(15)19/h2-10H,1H3

InChIKey

BWCXIEOVFGKDBR-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)methylidene]indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 9
Patents: 264.07864 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.085916	157.6
[M+Na]+	287.067858	167.6
[M-H]-	263.071364	166.0
[M+NH4]+	282.112463	177.3
[M+K]+	303.041798	162.6
[M+H-H2O]+	247.075900	151.0
[M+HCOO]-	309.076841	181.3
[M+CH3COO]-	323.092491	196.6
[M+Na-2H]-	285.053306	160.8
[M]+	264.07809142	159.5
[M]-	264.07918858	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe