CID 146109631

2138234-70-3

Structural Information

Molecular Formula

C₅H₆Br₂O₂

SMILES

C1C(CC1(Br)Br)C(=O)O

InChI

InChI=1S/C5H6Br2O2/c6-5(7)1-3(2-5)4(8)9/h3H,1-2H2,(H,8,9)

InChIKey

YZFOHXLYXYMKPH-UHFFFAOYSA-N

Compound name

3,3-dibromocyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.87344 Da
Monoisotopic Mass: 1.7
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]+	256.88072	120.9
[M+Na]+	278.86266	130.7
[M-H]-	254.86616	126.9
[M+NH4]+	273.90726	137.3
[M+K]+	294.83660	118.5
[M+H-H2O]+	238.87070	126.8
[M+HCOO]-	300.87164	134.8
[M+CH3COO]-	314.88729	197.2
[M+Na-2H]-	276.84811	128.8
[M]+	255.87289	159.2
[M]-	255.87399	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.