CID 51858

4'-acetonyloxy-2-chloro-1'-acetonaphthone

Structural Information

Molecular Formula
C15H13ClO3
SMILES
CC(=O)COC1=CC=C(C2=CC=CC=C21)C(=O)CCl
InChI
InChI=1S/C15H13ClO3/c1-10(17)9-19-15-7-6-12(14(18)8-16)11-4-2-3-5-13(11)15/h2-7H,8-9H2,1H3
InChIKey
DRZGRVYAIDGBMC-UHFFFAOYSA-N
Compound name
1-[4-(2-chloroacetyl)naphthalen-1-yl]oxypropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.05533 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06261 158.2
[M+Na]+ 299.04455 167.0
[M-H]- 275.04805 162.7
[M+NH4]+ 294.08915 176.3
[M+K]+ 315.01849 162.5
[M+H-H2O]+ 259.05259 152.5
[M+HCOO]- 321.05353 175.2
[M+CH3COO]- 335.06918 199.0
[M+Na-2H]- 297.03000 162.3
[M]+ 276.05478 163.7
[M]- 276.05588 163.7
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.