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

6
Patents

264.07864 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08592 157.6
[M+Na]+ 287.06786 167.6
[M-H]- 263.07136 166.0
[M+NH4]+ 282.11246 177.3
[M+K]+ 303.04180 162.6
[M+H-H2O]+ 247.07590 151.0
[M+HCOO]- 309.07684 181.3
[M+CH3COO]- 323.09249 196.6
[M+Na-2H]- 285.05331 160.8
[M]+ 264.07809 159.5
[M]- 264.07919 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe