CID 57554

99900-86-4

Structural Information

Molecular Formula
C13H16Cl2N2O
SMILES
CC1(CN1CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)C
InChI
InChI=1S/C13H16Cl2N2O/c1-13(2)8-17(13)6-5-12(18)16-9-3-4-10(14)11(15)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,16,18)
InChIKey
YCFOONAIAKNBMP-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-3-(2,2-dimethylaziridin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.06396 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.071236 158.3
[M+Na]+ 309.053178 168.8
[M-H]- 285.056684 163.7
[M+NH4]+ 304.097783 171.4
[M+K]+ 325.027118 162.9
[M+H-H2O]+ 269.061220 153.0
[M+HCOO]- 331.062161 171.4
[M+CH3COO]- 345.077811 204.1
[M+Na-2H]- 307.038626 161.8
[M]+ 286.06341142 164.6
[M]- 286.06450858 164.6
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.