CID 82158218

1267393-24-7

Structural Information

Molecular Formula

SMILES

C1C2=C(C=CC=C2Cl)C(=O)OC1=O

InChI

InChI=1S/C9H5ClO3/c10-7-3-1-2-5-6(7)4-8(11)13-9(5)12/h1-3H,4H2

InChIKey

CQTCPOPRKMEXID-UHFFFAOYSA-N

Compound name

5-chloro-4H-isochromene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 195.99272 Da
Monoisotopic Mass: 1.9
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]+	197.00000	133.1
[M+Na]+	218.98194	148.4
[M+NH4]+	214.02654	142.6
[M+K]+	234.95588	141.6
[M-H]-	194.98544	137.0
[M+Na-2H]-	216.96739	139.3
[M]+	195.99217	136.7
[M]-	195.99327	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe