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

6
Patents

258.03265 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03993 151.1
[M+Na]+ 281.02187 165.8
[M+NH4]+ 276.06647 159.9
[M+K]+ 296.99581 159.8
[M-H]- 257.02537 160.6
[M+Na-2H]- 279.00732 160.8
[M]+ 258.03210 157.4
[M]- 258.03320 157.4
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