CID 155978471

Rac-(1r,2r)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C8H7BrO3
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=C(C=CO2)Br
InChI
InChI=1S/C8H7BrO3/c9-6-1-2-12-7(6)4-3-5(4)8(10)11/h1-2,4-5H,3H2,(H,10,11)/t4-,5-/m1/s1
InChIKey
WAMRADDSSQQIJG-RFZPGFLSSA-N
Compound name
(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.95786 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96514 136.5
[M+Na]+ 252.94708 140.2
[M+NH4]+ 247.99168 141.5
[M+K]+ 268.92102 144.5
[M-H]- 228.95058 143.6
[M+Na-2H]- 250.93253 141.0
[M]+ 229.95731 138.8
[M]- 229.95841 138.8
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.