CID 11126621

Tert-butyl 2-chloro-2-oxoacetate

Structural Information

Molecular Formula
C6H9ClO3
SMILES
CC(C)(C)OC(=O)C(=O)Cl
InChI
InChI=1S/C6H9ClO3/c1-6(2,3)10-5(9)4(7)8/h1-3H3
InChIKey
UDACWKHNECHEBB-UHFFFAOYSA-N
Compound name
tert-butyl 2-chloro-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

321
Patents

164.02402 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.031296 128.9
[M+Na]+ 187.013238 137.7
[M-H]- 163.016744 129.9
[M+NH4]+ 182.057843 150.7
[M+K]+ 202.987178 136.8
[M+H-H2O]+ 147.021280 126.3
[M+HCOO]- 209.022221 146.0
[M+CH3COO]- 223.037871 175.8
[M+Na-2H]- 184.998686 134.2
[M]+ 164.02347142 133.2
[M]- 164.02456858 133.2
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

patents stripe