CID 132257417

2170445-21-1

Structural Information

Molecular Formula

C₆H₁₀Br₂O

SMILES

C1C[C@H](O[C@H]1CBr)CBr

InChI

InChI=1S/C6H10Br2O/c7-3-5-1-2-6(4-8)9-5/h5-6H,1-4H2/t5-,6+

InChIKey

VKMDETLQCOOQRI-OLQVQODUSA-N

Compound name

(2R,5S)-2,5-bis(bromomethyl)oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 255.90984 Da
Monoisotopic Mass: 2.2
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]+	256.917116	141.2
[M+Na]+	278.899058	151.6
[M-H]-	254.902564	148.2
[M+NH4]+	273.943663	162.1
[M+K]+	294.872998	138.1
[M+H-H2O]+	238.907100	149.7
[M+HCOO]-	300.908041	156.3
[M+CH3COO]-	314.923691	196.1
[M+Na-2H]-	276.884506	147.4
[M]+	255.90929142	174.1
[M]-	255.91038858	174.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe