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]+ 232.92664 135.9
[M+Na]+ 254.90858 152.1
[M-H]- 230.91208 144.4
[M+NH4]+ 249.95318 161.6
[M+K]+ 270.88252 142.2
[M+H-H2O]+ 214.91662 138.8
[M+HCOO]- 276.91756 155.1
[M+CH3COO]- 290.93321 153.5
[M+Na-2H]- 252.89403 141.8
[M]+ 231.91881 160.1
[M]- 231.91991 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.