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 143.6
[M+Na]+ 239.02342 153.0
[M-H]- 215.02692 148.1
[M+NH4]+ 234.06802 164.2
[M+K]+ 254.99736 147.2
[M+H-H2O]+ 199.03146 138.5
[M+HCOO]- 261.03240 161.9
[M+CH3COO]- 275.04805 186.3
[M+Na-2H]- 237.00887 150.6
[M]+ 216.03365 145.6
[M]- 216.03475 145.6
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.