CID 514911

102830-85-3

Structural Information

Molecular Formula

C₁₅H₁₂Cl₃NO

SMILES

CC1(CCC2=C(O1)N=CC(=C2)Cl)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C15H12Cl3NO/c1-15(10-2-3-12(17)13(18)7-10)5-4-9-6-11(16)8-19-14(9)20-15/h2-3,6-8H,4-5H2,1H3

InChIKey

CLMOJMGQOOXBMX-UHFFFAOYSA-N

Compound name

6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 326.99844 Da
Monoisotopic Mass: 5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	328.00572	167.5
[M+Na]+	349.98766	178.6
[M-H]-	325.99116	172.4
[M+NH4]+	345.03226	183.5
[M+K]+	365.96160	172.7
[M+H-H2O]+	309.99570	160.9
[M+HCOO]-	371.99664	171.2
[M+CH3COO]-	386.01229	178.4
[M+Na-2H]-	347.97311	172.3
[M]+	326.99789	170.7
[M]-	326.99899	170.7

Literature stripe

literature stripe

Patent stripe

patents stripe