CID 57553

1-aziridinepropionamide, n-(3,4-dichlorophenyl)-

Structural Information

Molecular Formula
C11H12Cl2N2O
SMILES
C1CN1CCC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H12Cl2N2O/c12-9-2-1-8(7-10(9)13)14-11(16)3-4-15-5-6-15/h1-2,7H,3-6H2,(H,14,16)
InChIKey
JAJBCIUQXVCVPN-UHFFFAOYSA-N
Compound name
3-(aziridin-1-yl)-N-(3,4-dichlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.03265 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.039926 151.1
[M+Na]+ 281.021868 161.0
[M-H]- 257.025374 156.1
[M+NH4]+ 276.066473 163.1
[M+K]+ 296.995808 154.7
[M+H-H2O]+ 241.029910 144.7
[M+HCOO]- 303.030851 165.2
[M+CH3COO]- 317.046501 197.9
[M+Na-2H]- 279.007316 155.1
[M]+ 258.03210142 156.0
[M]- 258.03319858 156.0
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

patents stripe