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 140.3
[M+Na]+ 252.94708 154.4
[M-H]- 228.95058 150.3
[M+NH4]+ 247.99168 157.4
[M+K]+ 268.92102 144.1
[M+H-H2O]+ 212.95512 140.5
[M+HCOO]- 274.95606 160.9
[M+CH3COO]- 288.97171 186.3
[M+Na-2H]- 250.93253 146.1
[M]+ 229.95731 161.7
[M]- 229.95841 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.