CID 43407406

Methyl 2-[2-(2-chloro-6-fluorophenyl)-n-methylacetamido]acetate

Structural Information

Molecular Formula
C12H13ClFNO3
SMILES
CN(CC(=O)OC)C(=O)CC1=C(C=CC=C1Cl)F
InChI
InChI=1S/C12H13ClFNO3/c1-15(7-12(17)18-2)11(16)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3
InChIKey
DSCAHUSPCXCKLU-UHFFFAOYSA-N
Compound name
methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0568 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06408 156.1
[M+Na]+ 296.04602 164.4
[M-H]- 272.04952 160.1
[M+NH4]+ 291.09062 173.9
[M+K]+ 312.01996 162.1
[M+H-H2O]+ 256.05406 149.7
[M+HCOO]- 318.05500 174.9
[M+CH3COO]- 332.07065 202.2
[M+Na-2H]- 294.03147 157.6
[M]+ 273.05625 161.0
[M]- 273.05735 161.0
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.