CID 4158575

4971-55-5

Structural Information

Molecular Formula

SMILES

C1C(=O)C(C(=O)O1)Cl

InChI

InChI=1S/C4H3ClO3/c5-3-2(6)1-8-4(3)7/h3H,1H2

InChIKey

DJEJYZZJYYNADA-UHFFFAOYSA-N

Compound name

3-chlorooxolane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 61
Patents: 133.97707 Da
Monoisotopic Mass: 0.6
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]+	134.98435	119.1
[M+Na]+	156.96629	129.6
[M-H]-	132.96979	123.8
[M+NH4]+	152.01089	142.5
[M+K]+	172.94023	128.6
[M+H-H2O]+	116.97433	116.0
[M+HCOO]-	178.97527	138.5
[M+CH3COO]-	192.99092	167.5
[M+Na-2H]-	154.95174	125.0
[M]+	133.97652	121.0
[M]-	133.97762	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe