CID 245027

1-(4-chlorobenzoyl)aziridine

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C1CN1C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C9H8ClNO/c10-8-3-1-7(2-4-8)9(12)11-5-6-11/h1-4H,5-6H2
InChIKey
AIUPDSQLYGAORJ-UHFFFAOYSA-N
Compound name
aziridin-1-yl-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

181.02943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03671 135.2
[M+Na]+ 204.01865 146.0
[M-H]- 180.02215 141.4
[M+NH4]+ 199.06325 149.9
[M+K]+ 219.99259 141.6
[M+H-H2O]+ 164.02669 128.7
[M+HCOO]- 226.02763 154.0
[M+CH3COO]- 240.04328 182.2
[M+Na-2H]- 202.00410 141.4
[M]+ 181.02888 138.8
[M]- 181.02998 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe