CID 10998506

90055-47-3

Structural Information

Molecular Formula

C₉H₈Cl₂O₂

SMILES

COC(=O)C(C1=CC=CC=C1Cl)Cl

InChI

InChI=1S/C9H8Cl2O2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,1H3

InChIKey

BUGNHCGQRDZRSQ-UHFFFAOYSA-N

Compound name

methyl 2-chloro-2-(2-chlorophenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 217.99013 Da
Monoisotopic Mass: 3.1
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]+	218.99741	140.5
[M+Na]+	240.97935	154.6
[M+NH4]+	236.02395	149.4
[M+K]+	256.95329	147.8
[M-H]-	216.98285	142.2
[M+Na-2H]-	238.96480	147.5
[M]+	217.98958	143.6
[M]-	217.99068	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe