CID 109901

68239-28-1

Structural Information

Molecular Formula

C₈H₈Cl₃NO₂

SMILES

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

InChI

InChI=1S/C8H8Cl3NO2/c9-5-6(8(10,11)7(5)13)12-1-3-14-4-2-12/h1-4H2

InChIKey

YKTVEZMNYLQTDA-UHFFFAOYSA-N

Compound name

2,4,4-trichloro-3-morpholin-4-ylcyclobut-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 254.96207 Da
Monoisotopic Mass: 1.8
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]+	255.96935	138.3
[M+Na]+	277.95129	148.7
[M+NH4]+	272.99589	144.7
[M+K]+	293.92523	142.4
[M-H]-	253.95479	139.2
[M+Na-2H]-	275.93674	143.7
[M]+	254.96152	140.0
[M]-	254.96262	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe