CID 96149

73713-78-7

Structural Information

Molecular Formula

C₁₄H₁₆Cl₂N₂O₄

SMILES

C1COCCN1C2=C(C(=O)C(=C(C2=O)Cl)N3CCOCC3)Cl

InChI

InChI=1S/C14H16Cl2N2O4/c15-9-11(17-1-5-21-6-2-17)13(19)10(16)12(14(9)20)18-3-7-22-8-4-18/h1-8H2

InChIKey

BEUXSCOHTNUOOS-UHFFFAOYSA-N

Compound name

2,5-dichloro-3,6-dimorpholin-4-ylcyclohexa-2,5-diene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 346.0487 Da
Monoisotopic Mass: 1.4
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]+	347.05598	174.6
[M+Na]+	369.03792	188.5
[M+NH4]+	364.08252	181.5
[M+K]+	385.01186	182.2
[M-H]-	345.04142	180.6
[M+Na-2H]-	367.02337	179.0
[M]+	346.04815	178.7
[M]-	346.04925	178.7

Literature stripe

literature stripe

Patent stripe

patents stripe