CID 7064605

17434-22-9

Structural Information

Molecular Formula
C17H14O
SMILES
CC1=CC=C(C=C1)/C=C/2\CC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14O/c1-12-6-8-13(9-7-12)10-15-11-14-4-2-3-5-16(14)17(15)18/h2-10H,11H2,1H3/b15-10+
InChIKey
WLZONYIZJHARTN-XNTDXEJSSA-N
Compound name
(2E)-2-[(4-methylphenyl)methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

234.10446 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11174 152.6
[M+Na]+ 257.09368 161.8
[M-H]- 233.09718 160.6
[M+NH4]+ 252.13828 173.5
[M+K]+ 273.06762 156.1
[M+H-H2O]+ 217.10172 146.1
[M+HCOO]- 279.10266 175.8
[M+CH3COO]- 293.11831 166.1
[M+Na-2H]- 255.07913 156.3
[M]+ 234.10391 151.9
[M]- 234.10501 151.9
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