CID 146081000

Rac-(1r,2r)-2-(4-bromo-3-chlorophenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H8BrClO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC(=C(C=C2)Br)Cl
InChI
InChI=1S/C10H8BrClO2/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H,13,14)/t6-,7+/m0/s1
InChIKey
MWCQYJDHVHNINE-NKWVEPMBSA-N
Compound name
trans-(1R,2R)-2-(4-bromo-3-chlorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9396 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.946876 144.5
[M+Na]+ 296.928818 159.2
[M-H]- 272.932324 153.7
[M+NH4]+ 291.973423 160.7
[M+K]+ 312.902758 145.6
[M+H-H2O]+ 256.936860 145.2
[M+HCOO]- 318.937801 160.8
[M+CH3COO]- 332.953451 194.3
[M+Na-2H]- 294.914266 149.9
[M]+ 273.93905142 166.2
[M]- 273.94014858 166.2
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.