CID 83679205

2-bromo-4h,5h,6h-cyclopenta[b]thiophen-4-ol

Structural Information

Molecular Formula
C7H7BrOS
SMILES
C1CC2=C(C1O)C=C(S2)Br
InChI
InChI=1S/C7H7BrOS/c8-7-3-4-5(9)1-2-6(4)10-7/h3,5,9H,1-2H2
InChIKey
MFDOGTVDAOMTAH-UHFFFAOYSA-N
Compound name
2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.9401 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.94738 135.5
[M+Na]+ 240.92932 136.7
[M+NH4]+ 235.97392 141.8
[M+K]+ 256.90326 138.3
[M-H]- 216.93282 135.7
[M+Na-2H]- 238.91477 136.2
[M]+ 217.93955 134.8
[M]- 217.94065 134.8
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.