CID 544219

Methyl 10-chloro-10-oxodecanoate

Structural Information

Molecular Formula
C11H19ClO3
SMILES
COC(=O)CCCCCCCCC(=O)Cl
InChI
InChI=1S/C11H19ClO3/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3
InChIKey
ZUUUAAZQEMFVSN-UHFFFAOYSA-N
Compound name
methyl 10-chloro-10-oxodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

234.10228 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10956 152.6
[M+Na]+ 257.09150 161.9
[M+NH4]+ 252.13610 158.9
[M+K]+ 273.06544 156.1
[M-H]- 233.09500 150.6
[M+Na-2H]- 255.07695 154.3
[M]+ 234.10173 153.3
[M]- 234.10283 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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Patent stripe

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