CID 57555

99900-87-5

Structural Information

Molecular Formula
C12H14Cl2N2O
SMILES
CC1CN1CCC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H14Cl2N2O/c1-8-7-16(8)5-4-12(17)15-9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,15,17)
InChIKey
BIGDCHHKPXJJOC-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-3-(2-methylaziridin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0483 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.055576 155.4
[M+Na]+ 295.037518 165.7
[M-H]- 271.041024 160.6
[M+NH4]+ 290.082123 167.1
[M+K]+ 311.011458 159.0
[M+H-H2O]+ 255.045560 149.1
[M+HCOO]- 317.046501 169.1
[M+CH3COO]- 331.062151 201.8
[M+Na-2H]- 293.022966 158.2
[M]+ 272.04775142 161.0
[M]- 272.04884858 161.0
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

No patent data available for this compound.