CID 18994427

4-(5-bromothiophen-2-yl)oxan-4-ol

Structural Information

Molecular Formula

C₉H₁₁BrO₂S

SMILES

C1COCCC1(C2=CC=C(S2)Br)O

InChI

InChI=1S/C9H11BrO2S/c10-8-2-1-7(13-8)9(11)3-5-12-6-4-9/h1-2,11H,3-6H2

InChIKey

QCQYIXZZFCNASH-UHFFFAOYSA-N

Compound name

4-(5-bromothiophen-2-yl)oxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 261.9663 Da
Monoisotopic Mass: 2.0
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]+	262.97358	141.9
[M+Na]+	284.95552	143.5
[M+NH4]+	280.00012	148.9
[M+K]+	300.92946	142.6
[M-H]-	260.95902	144.6
[M+Na-2H]-	282.94097	145.8
[M]+	261.96575	142.2
[M]-	261.96685	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe