CID 155943822

{2-bromothieno[3,2-b]furan-5-yl}methanol

Structural Information

Molecular Formula
C7H5BrO2S
SMILES
C1=C(SC2=C1OC(=C2)Br)CO
InChI
InChI=1S/C7H5BrO2S/c8-7-2-6-5(10-7)1-4(3-9)11-6/h1-2,9H,3H2
InChIKey
IBBHVFUAPJMOOH-UHFFFAOYSA-N
Compound name
(2-bromothieno[3,2-b]furan-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.91936 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.926636 135.9
[M+Na]+ 254.908578 152.1
[M-H]- 230.912084 144.4
[M+NH4]+ 249.953183 161.6
[M+K]+ 270.882518 142.2
[M+H-H2O]+ 214.916620 138.8
[M+HCOO]- 276.917561 155.1
[M+CH3COO]- 290.933211 153.5
[M+Na-2H]- 252.894026 141.8
[M]+ 231.91881142 160.1
[M]- 231.91990858 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.