CID 50988970

2-chloro-n-[2-(2-fluorophenoxy)ethyl]-n-methylacetamide

Structural Information

Molecular Formula
C11H13ClFNO2
SMILES
CN(CCOC1=CC=CC=C1F)C(=O)CCl
InChI
InChI=1S/C11H13ClFNO2/c1-14(11(15)8-12)6-7-16-10-5-3-2-4-9(10)13/h2-5H,6-8H2,1H3
InChIKey
QIAXOTYGNHIHIG-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.06189 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06917 150.8
[M+Na]+ 268.05111 158.5
[M-H]- 244.05461 154.3
[M+NH4]+ 263.09571 169.5
[M+K]+ 284.02505 155.8
[M+H-H2O]+ 228.05915 144.1
[M+HCOO]- 290.06009 170.4
[M+CH3COO]- 304.07574 196.6
[M+Na-2H]- 266.03656 154.5
[M]+ 245.06134 154.8
[M]- 245.06244 154.8
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.