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
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]+ 177.03130 131.9
[M+Na]+ 199.01324 142.2
[M-H]- 175.01674 136.8
[M+NH4]+ 194.05784 148.3
[M+K]+ 214.98718 139.2
[M+H-H2O]+ 159.02128 127.4
[M+HCOO]- 221.02222 150.5
[M+CH3COO]- 235.03787 182.2
[M+Na-2H]- 196.99869 135.7
[M]+ 176.02347 138.4
[M]- 176.02457 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.