CID 11970554

68751-57-5

Structural Information

Molecular Formula

C₁₁H₁₁BrCl₂O₃

SMILES

C1C(OC(O1)(CBr)C2=C(C=C(C=C2)Cl)Cl)CO

InChI

InChI=1S/C11H11BrCl2O3/c12-6-11(16-5-8(4-15)17-11)9-2-1-7(13)3-10(9)14/h1-3,8,15H,4-6H2

InChIKey

KWVAKSFLLNZGBK-UHFFFAOYSA-N

Compound name

[2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 339.92685 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]+	340.93413	167.5
[M+Na]+	362.91607	171.8
[M+NH4]+	357.96067	173.5
[M+K]+	378.89001	170.8
[M-H]-	338.91957	170.7
[M+Na-2H]-	360.90152	170.3
[M]+	339.92630	168.6
[M]-	339.92740	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe