CID 15523739

114429-91-3

Structural Information

Molecular Formula

SMILES

C1[C@H]([C@@H](CO1)Br)O

InChI

InChI=1S/C4H7BrO2/c5-3-1-7-2-4(3)6/h3-4,6H,1-2H2/t3-,4-/m1/s1

InChIKey

LUUKWZNQWLUBGM-QWWZWVQMSA-N

Compound name

(3R,4R)-4-bromooxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 165.96294 Da
Monoisotopic Mass: 0.1
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]+	166.97022	128.4
[M+Na]+	188.95216	139.6
[M-H]-	164.95566	134.0
[M+NH4]+	183.99676	152.3
[M+K]+	204.92610	131.2
[M+H-H2O]+	148.96020	129.8
[M+HCOO]-	210.96114	147.9
[M+CH3COO]-	224.97679	170.9
[M+Na-2H]-	186.93761	135.6
[M]+	165.96239	144.8
[M]-	165.96349	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe