CID 238805

2,3-dibromopropyl chloroacetate

Structural Information

Molecular Formula

C₅H₇Br₂ClO₂

SMILES

C(C(CBr)Br)OC(=O)CCl

InChI

InChI=1S/C5H7Br2ClO2/c6-1-4(7)3-10-5(9)2-8/h4H,1-3H2

InChIKey

NAXYSIZEOBNAHI-UHFFFAOYSA-N

Compound name

2,3-dibromopropyl 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 291.85013 Da
Monoisotopic Mass: 2.3
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]+	292.85741	138.9
[M+Na]+	314.83935	150.3
[M-H]-	290.84285	143.1
[M+NH4]+	309.88395	158.9
[M+K]+	330.81329	133.8
[M+H-H2O]+	274.84739	147.5
[M+HCOO]-	336.84833	150.5
[M+CH3COO]-	350.86398	200.5
[M+Na-2H]-	312.82480	144.8
[M]+	291.84958	174.9
[M]-	291.85068	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe