CID 84853

1-(4-fluorobenzoyl)aziridine

Structural Information

Molecular Formula
C9H8FNO
SMILES
C1CN1C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C9H8FNO/c10-8-3-1-7(2-4-8)9(12)11-5-6-11/h1-4H,5-6H2
InChIKey
WJMOWGFGRONZPA-UHFFFAOYSA-N
Compound name
aziridin-1-yl-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

165.05899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.066266 132.6
[M+Na]+ 188.048208 142.9
[M-H]- 164.051714 137.8
[M+NH4]+ 183.092813 147.1
[M+K]+ 204.022148 139.7
[M+H-H2O]+ 148.056250 124.5
[M+HCOO]- 210.057191 154.9
[M+CH3COO]- 224.072841 181.1
[M+Na-2H]- 186.033656 138.7
[M]+ 165.05844142 133.3
[M]- 165.05953858 133.3
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