CID 146049613

Rac-methyl (1r,2s)-2-(2-chloroacetyl)cyclopropane-1-carboxylate

Structural Information

Molecular Formula
C7H9ClO3
SMILES
COC(=O)[C@@H]1C[C@@H]1C(=O)CCl
InChI
InChI=1S/C7H9ClO3/c1-11-7(10)5-2-4(5)6(9)3-8/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKey
PSBLAPCGKKFLIK-CRCLSJGQSA-N
Compound name
cis-methyl (1R,2S)-2-(2-chloroacetyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.02402 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.031296 131.9
[M+Na]+ 199.013238 142.2
[M-H]- 175.016744 136.8
[M+NH4]+ 194.057843 148.3
[M+K]+ 214.987178 139.2
[M+H-H2O]+ 159.021280 127.4
[M+HCOO]- 221.022221 150.5
[M+CH3COO]- 235.037871 182.2
[M+Na-2H]- 196.998686 135.7
[M]+ 176.02347142 138.4
[M]- 176.02456858 138.4
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

No patent data available for this compound.