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

literature stripe

Patent stripe

patents stripe