CID 10946

Chloroacetic anhydride

Structural Information

Molecular Formula

C₄H₄Cl₂O₃

SMILES

C(C(=O)OC(=O)CCl)Cl

InChI

InChI=1S/C4H4Cl2O3/c5-1-3(7)9-4(8)2-6/h1-2H2

InChIKey

PNVPNXKRAUBJGW-UHFFFAOYSA-N

Compound name

(2-chloroacetyl) 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 6486
Patents: 169.95375 Da
Monoisotopic Mass: 1.1
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]+	170.96103	126.6
[M+Na]+	192.94297	137.9
[M+NH4]+	187.98757	134.1
[M+K]+	208.91691	133.0
[M-H]-	168.94647	124.7
[M+Na-2H]-	190.92842	130.2
[M]+	169.95320	127.9
[M]-	169.95430	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe