CID 5468555

Nsc671632

Structural Information

Molecular Formula
C17H14O2
SMILES
COC1=CC2=C(C/C(=C\C3=CC=CC=C3)/C2=O)C=C1
InChI
InChI=1S/C17H14O2/c1-19-15-8-7-13-10-14(17(18)16(13)11-15)9-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3/b14-9+
InChIKey
WLNXGKLGUVFTLX-NTEUORMPSA-N
Compound name
(2E)-2-benzylidene-6-methoxy-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

250.09938 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 156.0
[M+Na]+ 273.08860 165.1
[M-H]- 249.09210 164.1
[M+NH4]+ 268.13320 176.2
[M+K]+ 289.06254 160.0
[M+H-H2O]+ 233.09664 149.3
[M+HCOO]- 295.09758 179.4
[M+CH3COO]- 309.11323 194.1
[M+Na-2H]- 271.07405 159.8
[M]+ 250.09883 156.8
[M]- 250.09993 156.8
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