CID 4523180

Dimethylmalonyl dichloride

Structural Information

Molecular Formula

C₅H₆Cl₂O₂

SMILES

CC(C)(C(=O)Cl)C(=O)Cl

InChI

InChI=1S/C5H6Cl2O2/c1-5(2,3(6)8)4(7)9/h1-2H3

InChIKey

CJXQAYQWVNXIQE-UHFFFAOYSA-N

Compound name

2,2-dimethylpropanedioyl dichloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 407
Patents: 167.97449 Da
Monoisotopic Mass: 2.4
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]+	168.98177	126.6
[M+Na]+	190.96371	136.0
[M-H]-	166.96721	127.1
[M+NH4]+	186.00831	148.4
[M+K]+	206.93765	133.1
[M+H-H2O]+	150.97175	125.0
[M+HCOO]-	212.97269	138.7
[M+CH3COO]-	226.98834	177.0
[M+Na-2H]-	188.94916	131.6
[M]+	167.97394	130.0
[M]-	167.97504	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe