CID 5713138

2-(2-hydroxybenzylidene)-1-indanone

Structural Information

Molecular Formula
C16H12O2
SMILES
C\1C2=CC=CC=C2C(=O)/C1=C/C3=CC=CC=C3O
InChI
InChI=1S/C16H12O2/c17-15-8-4-2-6-12(15)10-13-9-11-5-1-3-7-14(11)16(13)18/h1-8,10,17H,9H2/b13-10+
InChIKey
MTRGPBISOZJVME-JLHYYAGUSA-N
Compound name
(2E)-2-[(2-hydroxyphenyl)methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

236.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09100 151.6
[M+Na]+ 259.07294 160.7
[M-H]- 235.07644 158.5
[M+NH4]+ 254.11754 171.7
[M+K]+ 275.04688 154.9
[M+H-H2O]+ 219.08098 145.4
[M+HCOO]- 281.08192 173.9
[M+CH3COO]- 295.09757 164.7
[M+Na-2H]- 257.05839 155.5
[M]+ 236.08317 150.2
[M]- 236.08427 150.2
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.