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
(1R,2R)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

229.99013 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.99741 136.9
[M+Na]+ 252.97935 148.5
[M-H]- 228.98285 142.9
[M+NH4]+ 248.02395 151.2
[M+K]+ 268.95329 142.5
[M+H-H2O]+ 212.98739 132.8
[M+HCOO]- 274.98833 150.5
[M+CH3COO]- 289.00398 189.3
[M+Na-2H]- 250.96480 140.6
[M]+ 229.98958 142.1
[M]- 229.99068 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