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: 31
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	139.6
[M+Na]+	266.86266	133.1
[M+NH4]+	261.90726	140.9
[M+K]+	282.83660	140.9
[M-H]-	242.86616	138.0
[M+Na-2H]-	264.84811	139.3
[M]+	243.87289	136.9
[M]-	243.87399	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe