CID 557083

Photodieldrin

Structural Information

Molecular Formula

C₁₂H₈Cl₆O

SMILES

C12C3C(C4C1C5(C(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6C2O6

InChI

InChI=1S/C12H8Cl6O/c13-8-9(14)3-1-4-5(2(3)7-6(1)19-7)11(9,16)12(17,18)10(4,8)15/h1-8H

InChIKey

LOVDWMTZZYUFMA-UHFFFAOYSA-N

Compound name

3,4,5,6,6,7-hexachloro-12-oxahexacyclo[6.5.0.02,10.03,7.05,9.011,13]tridecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 4
Patents: 377.87064 Da
Monoisotopic Mass: 3.4
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]+	378.87792	161.3
[M+Na]+	400.85986	171.1
[M+NH4]+	395.90446	173.7
[M+K]+	416.83380	166.6
[M-H]-	376.86336	165.4
[M+Na-2H]-	398.84531	163.5
[M]+	377.87009	166.1
[M]-	377.87119	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe