CID 9317159

2-chloro-n-ethyl-n-[(3-fluorophenyl)methyl]acetamide

Structural Information

Molecular Formula
C11H13ClFNO
SMILES
CCN(CC1=CC(=CC=C1)F)C(=O)CCl
InChI
InChI=1S/C11H13ClFNO/c1-2-14(11(15)7-12)8-9-4-3-5-10(13)6-9/h3-6H,2,7-8H2,1H3
InChIKey
RWKMWGAZGHLOAP-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.06697 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.07425 148.0
[M+Na]+ 252.05619 155.7
[M-H]- 228.05969 151.5
[M+NH4]+ 247.10079 167.4
[M+K]+ 268.03013 152.5
[M+H-H2O]+ 212.06423 141.5
[M+HCOO]- 274.06517 167.3
[M+CH3COO]- 288.08082 194.6
[M+Na-2H]- 250.04164 151.6
[M]+ 229.06642 150.5
[M]- 229.06752 150.5
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.