CID 109900

68239-27-0

Structural Information

Molecular Formula

C₈H₈ClNO₃

SMILES

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

InChI

InChI=1S/C8H8ClNO3/c9-5-6(8(12)7(5)11)10-1-3-13-4-2-10/h1-4H2

InChIKey

MRSXFXHLKHAXQI-UHFFFAOYSA-N

Compound name

3-chloro-4-morpholin-4-ylcyclobut-3-ene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.01927 Da
Monoisotopic Mass: 0.4
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]+	202.02655	132.3
[M+Na]+	224.00849	142.0
[M+NH4]+	219.05309	136.4
[M+K]+	239.98243	138.5
[M-H]-	200.01199	133.0
[M+Na-2H]-	221.99394	136.3
[M]+	201.01872	132.9
[M]-	201.01982	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.