CID 30093

20286-18-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

181.02943 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

patents stripe