CID 167994843

Rac-methyl (1r,2r)-1-chloro-2-(chloromethyl)cyclopropane-1-carboxylate

Structural Information

Molecular Formula
C6H8Cl2O2
SMILES
COC(=O)C1(CC1CCl)Cl
InChI
InChI=1S/C6H8Cl2O2/c1-10-5(9)6(8)2-4(6)3-7/h4H,2-3H2,1H3
InChIKey
NOUNINYXKWHBLN-UHFFFAOYSA-N
Compound name
methyl 1-chloro-2-(chloromethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.99013 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.99741 129.1
[M+Na]+ 204.97935 140.2
[M-H]- 180.98285 133.4
[M+NH4]+ 200.02395 147.4
[M+K]+ 220.95329 136.9
[M+H-H2O]+ 164.98739 126.7
[M+HCOO]- 226.98833 143.2
[M+CH3COO]- 241.00398 181.7
[M+Na-2H]- 202.96480 135.0
[M]+ 181.98958 135.9
[M]- 181.99068 135.9
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.