CID 3020165

33673-74-4

Structural Information

Molecular Formula

C₄H₆Br₂O₂

SMILES

CC(CBr)(C(=O)O)Br

InChI

InChI=1S/C4H6Br2O2/c1-4(6,2-5)3(7)8/h2H2,1H3,(H,7,8)

InChIKey

UYCLMYDTNVHCAN-UHFFFAOYSA-N

Compound name

2,3-dibromo-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 243.87344 Da
Monoisotopic Mass: 1.6
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]+	244.88072	133.2
[M+Na]+	266.86266	143.9
[M-H]-	242.86616	136.5
[M+NH4]+	261.90726	153.4
[M+K]+	282.83660	128.6
[M+H-H2O]+	226.87070	141.7
[M+HCOO]-	288.87164	146.9
[M+CH3COO]-	302.88729	193.4
[M+Na-2H]-	264.84811	140.5
[M]+	243.87289	166.3
[M]-	243.87399	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe