CID 129388684

53229-56-4

Structural Information

Molecular Formula
C6H7ClO3
SMILES
COC(=O)[C@@H]1C[C@@H]1C(=O)Cl
InChI
InChI=1S/C6H7ClO3/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3/t3-,4+/m0/s1
InChIKey
VOUXEEDGGBGRHN-IUYQGCFVSA-N
Compound name
methyl (1R,2S)-2-carbonochloridoylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.00838 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01566 127.5
[M+Na]+ 184.99760 138.2
[M-H]- 161.00110 132.6
[M+NH4]+ 180.04220 144.4
[M+K]+ 200.97154 135.4
[M+H-H2O]+ 145.00564 123.2
[M+HCOO]- 207.00658 146.4
[M+CH3COO]- 221.02223 179.3
[M+Na-2H]- 182.98305 131.8
[M]+ 162.00783 133.7
[M]- 162.00893 133.7
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.