CID 155821129

[(1r,2r)-2-(5-bromothiophen-2-yl)cyclopropyl]methanol

Structural Information

Molecular Formula
C8H9BrOS
SMILES
C1[C@H]([C@@H]1C2=CC=C(S2)Br)CO
InChI
InChI=1S/C8H9BrOS/c9-8-2-1-7(11-8)6-3-5(6)4-10/h1-2,5-6,10H,3-4H2/t5-,6+/m0/s1
InChIKey
HNGXFXAIUCCAMD-NTSWFWBYSA-N
Compound name
[(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.95575 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.96303 129.3
[M+Na]+ 254.94497 133.3
[M+NH4]+ 249.98957 135.9
[M+K]+ 270.91891 134.7
[M-H]- 230.94847 136.6
[M+Na-2H]- 252.93042 135.0
[M]+ 231.95520 132.1
[M]- 231.95630 132.1
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.