CID 6445253

3-chloro-1-acrylonaphthone

Structural Information

Molecular Formula
C13H9ClO
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)/C=C/Cl
InChI
InChI=1S/C13H9ClO/c14-9-8-13(15)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H/b9-8+
InChIKey
FVAJBZADZNHVMM-CMDGGOBGSA-N
Compound name
(E)-3-chloro-1-naphthalen-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.0342 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04148 143.8
[M+Na]+ 239.02342 159.6
[M+NH4]+ 234.06802 153.9
[M+K]+ 254.99736 150.4
[M-H]- 215.02692 147.3
[M+Na-2H]- 237.00887 152.1
[M]+ 216.03365 147.5
[M]- 216.03475 147.5
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.