CID 6476993

Nsc83803

Structural Information

Molecular Formula
C17H14O3
SMILES
C1C/C(=C\C2=CC(=C(C=C2)O)O)/C(=O)C3=CC=CC=C31
InChI
InChI=1S/C17H14O3/c18-15-8-5-11(10-16(15)19)9-13-7-6-12-3-1-2-4-14(12)17(13)20/h1-5,8-10,18-19H,6-7H2/b13-9+
InChIKey
WDGCEVWFRVNANF-UKTHLTGXSA-N
Compound name
(2E)-2-[(3,4-dihydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 158.8
[M+Na]+ 289.08352 166.8
[M-H]- 265.08702 164.0
[M+NH4]+ 284.12812 175.1
[M+K]+ 305.05746 160.9
[M+H-H2O]+ 249.09156 151.8
[M+HCOO]- 311.09250 177.0
[M+CH3COO]- 325.10815 193.2
[M+Na-2H]- 287.06897 162.8
[M]+ 266.09375 155.5
[M]- 266.09485 155.5
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.