CID 53940797

220353-25-3

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

21
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 141.9
[M+Na]+ 252.97935 157.6
[M+NH4]+ 248.02395 151.3
[M+K]+ 268.95329 152.2
[M-H]- 228.98285 151.2
[M+Na-2H]- 250.96480 151.5
[M]+ 229.98958 148.4
[M]- 229.99068 148.4
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