CID 9578654

1-phenacyloxime-4,5-dichloroquinolinium chloride hydrate

Structural Information

Molecular Formula
C17H13Cl2N2O
SMILES
C1=CC=C(C=C1)/C(=N\O)/C[N+]2=C3C=CC=C(C3=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H12Cl2N2O/c18-13-7-4-8-16-17(13)14(19)9-10-21(16)11-15(20-22)12-5-2-1-3-6-12/h1-10H,11H2/p+1/b20-15-
InChIKey
SVCTUNPCGFDXPT-HKWRFOASSA-O
Compound name
(NE)-N-[2-(4,5-dichloroquinolin-1-ium-1-yl)-1-phenylethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0405 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.04778 171.5
[M+Na]+ 354.02972 191.0
[M+NH4]+ 349.07432 182.1
[M+K]+ 370.00366 181.2
[M-H]- 330.03322 178.9
[M+Na-2H]- 352.01517 182.4
[M]+ 331.03995 177.6
[M]- 331.04105 177.6
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.