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 131.6
[M+Na]+ 254.94497 146.5
[M-H]- 230.94847 141.3
[M+NH4]+ 249.98957 150.9
[M+K]+ 270.91891 134.2
[M+H-H2O]+ 214.95301 132.4
[M+HCOO]- 276.95395 149.4
[M+CH3COO]- 290.96960 186.2
[M+Na-2H]- 252.93042 135.8
[M]+ 231.95520 153.3
[M]- 231.95630 153.3
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.