CID 53940797

Rac-(1r,2r)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H8Cl2O2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C10H8Cl2O2/c11-6-1-5(2-7(12)3-6)8-4-9(8)10(13)14/h1-3,8-9H,4H2,(H,13,14)/t8-,9+/m0/s1
InChIKey
IXQKEOPPCOTSSC-DTWKUNHWSA-N
Compound name
trans-(1R,2R)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

229.99013 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.997406 136.9
[M+Na]+ 252.979348 148.5
[M-H]- 228.982854 142.9
[M+NH4]+ 248.023953 151.2
[M+K]+ 268.953288 142.5
[M+H-H2O]+ 212.987390 132.8
[M+HCOO]- 274.988331 150.5
[M+CH3COO]- 289.003981 189.3
[M+Na-2H]- 250.964796 140.6
[M]+ 229.98958142 142.1
[M]- 229.99067858 142.1
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

patents stripe