CID 54594858

2-chloro-n-({[1-(4-fluorophenyl)ethyl]carbamoyl}methyl)acetamide

Structural Information

Molecular Formula
C12H14ClFN2O2
SMILES
CC(C1=CC=C(C=C1)F)NC(=O)CNC(=O)CCl
InChI
InChI=1S/C12H14ClFN2O2/c1-8(9-2-4-10(14)5-3-9)16-12(18)7-15-11(17)6-13/h2-5,8H,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKey
QLUWVATUVHPCSI-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.07278 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08006 159.5
[M+Na]+ 295.06200 165.5
[M-H]- 271.06550 161.5
[M+NH4]+ 290.10660 175.9
[M+K]+ 311.03594 161.7
[M+H-H2O]+ 255.07004 152.7
[M+HCOO]- 317.07098 177.5
[M+CH3COO]- 331.08663 201.4
[M+Na-2H]- 293.04745 161.2
[M]+ 272.07223 159.9
[M]- 272.07333 159.9
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.