CID 519774

Methyl 2-bromo-2-chloroacetate

Structural Information

Molecular Formula
C3H4BrClO2
SMILES
COC(=O)C(Cl)Br
InChI
InChI=1S/C3H4BrClO2/c1-7-3(6)2(4)5/h2H,1H3
InChIKey
WIBYPHGWXYLWQX-UHFFFAOYSA-N
Compound name
methyl 2-bromo-2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

325
Patents

185.90833 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.91561 125.2
[M+Na]+ 208.89755 127.5
[M+NH4]+ 203.94215 129.9
[M+K]+ 224.87149 128.9
[M-H]- 184.90105 123.2
[M+Na-2H]- 206.88300 126.8
[M]+ 185.90778 123.8
[M]- 185.90888 123.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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