CID 54306

4'-chloro-2-(1-imidazolyl)-1'-acetonaphthone hydrochloride

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
C1=CC=C2C(=C1)C(=CC=C2Cl)C(=O)CN3C=CN=C3
InChI
InChI=1S/C15H11ClN2O/c16-14-6-5-13(11-3-1-2-4-12(11)14)15(19)9-18-8-7-17-10-18/h1-8,10H,9H2
InChIKey
LIGBNUZCJGECMR-UHFFFAOYSA-N
Compound name
1-(4-chloronaphthalen-1-yl)-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.056 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06328 158.7
[M+Na]+ 293.04522 169.8
[M-H]- 269.04872 164.2
[M+NH4]+ 288.08982 176.0
[M+K]+ 309.01916 163.3
[M+H-H2O]+ 253.05326 150.4
[M+HCOO]- 315.05420 176.8
[M+CH3COO]- 329.06985 171.5
[M+Na-2H]- 291.03067 164.3
[M]+ 270.05545 163.1
[M]- 270.05655 163.1
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

patents stripe