CID 44630149

16176-11-7

Structural Information

Molecular Formula

C₅H₂BrCl₂NO₂

SMILES

C(N1C(=O)C(=C(C1=O)Cl)Cl)Br

InChI

InChI=1S/C5H2BrCl2NO2/c6-1-9-4(10)2(7)3(8)5(9)11/h1H2

InChIKey

GQMLTDXARRCATE-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-3,4-dichloropyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 593
Patents: 256.8646 Da
Monoisotopic Mass: 2.0
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]+	257.87188	144.6
[M+Na]+	279.85382	148.6
[M+NH4]+	274.89842	149.0
[M+K]+	295.82776	149.5
[M-H]-	255.85732	143.3
[M+Na-2H]-	277.83927	145.7
[M]+	256.86405	144.0
[M]-	256.86515	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe