CID 60231

Aziridine, 1-(4-(4-chlorophenyl)-1,4-dioxobutyl)-

Structural Information

Molecular Formula
C12H12ClNO2
SMILES
C1CN1C(=O)CCC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H12ClNO2/c13-10-3-1-9(2-4-10)11(15)5-6-12(16)14-7-8-14/h1-4H,5-8H2
InChIKey
APZBWYWJSUGDDX-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)-4-(4-chlorophenyl)butane-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.05565 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06293 150.0
[M+Na]+ 260.04487 159.4
[M-H]- 236.04837 155.8
[M+NH4]+ 255.08947 162.3
[M+K]+ 276.01881 154.5
[M+H-H2O]+ 220.05291 143.0
[M+HCOO]- 282.05385 167.3
[M+CH3COO]- 296.06950 192.6
[M+Na-2H]- 258.03032 153.5
[M]+ 237.05510 154.8
[M]- 237.05620 154.8
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.