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 137.1
[M+Na]+ 240.92932 151.5
[M-H]- 216.93282 144.3
[M+NH4]+ 235.97392 164.4
[M+K]+ 256.90326 140.6
[M+H-H2O]+ 200.93736 139.8
[M+HCOO]- 262.93830 154.1
[M+CH3COO]- 276.95395 153.7
[M+Na-2H]- 238.91477 140.4
[M]+ 217.93955 156.8
[M]- 217.94065 156.8
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.