CID 3056707

2-propanone, 1-(2-chloro-1-naphthyloxy)-

Structural Information

Molecular Formula
C13H11ClO2
SMILES
CC(=O)COC1=C(C=CC2=CC=CC=C21)Cl
InChI
InChI=1S/C13H11ClO2/c1-9(15)8-16-13-11-5-3-2-4-10(11)6-7-12(13)14/h2-7H,8H2,1H3
InChIKey
PMCMLZQTFUZXGR-UHFFFAOYSA-N
Compound name
1-(2-chloronaphthalen-1-yl)oxypropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.04475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05203 147.3
[M+Na]+ 257.03397 157.1
[M-H]- 233.03747 152.0
[M+NH4]+ 252.07857 167.4
[M+K]+ 273.00791 152.5
[M+H-H2O]+ 217.04201 142.0
[M+HCOO]- 279.04295 165.5
[M+CH3COO]- 293.05860 190.9
[M+Na-2H]- 255.01942 153.6
[M]+ 234.04420 151.9
[M]- 234.04530 151.9
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.