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
trans-(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]+ 230.965136 140.3
[M+Na]+ 252.947078 154.4
[M-H]- 228.950584 150.3
[M+NH4]+ 247.991683 157.4
[M+K]+ 268.921018 144.1
[M+H-H2O]+ 212.955120 140.5
[M+HCOO]- 274.956061 160.9
[M+CH3COO]- 288.971711 186.3
[M+Na-2H]- 250.932526 146.1
[M]+ 229.95731142 161.7
[M]- 229.95840858 161.7
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.