CID 112756

5-hydroxyisophthaloyl dichloride

Structural Information

Molecular Formula

C₈H₄Cl₂O₃

SMILES

C1=C(C=C(C=C1C(=O)Cl)O)C(=O)Cl

InChI

InChI=1S/C8H4Cl2O3/c9-7(12)4-1-5(8(10)13)3-6(11)2-4/h1-3,11H

InChIKey

PVOFLWDXEXGWNT-UHFFFAOYSA-N

Compound name

5-hydroxybenzene-1,3-dicarbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 217.95375 Da
Monoisotopic Mass: 2.6
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]+	218.96103	137.8
[M+Na]+	240.94297	151.5
[M+NH4]+	235.98757	145.7
[M+K]+	256.91691	145.9
[M-H]-	216.94647	138.3
[M+Na-2H]-	238.92842	143.7
[M]+	217.95320	140.4
[M]-	217.95430	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe