CID 4205540

15460-49-8

Structural Information

Molecular Formula
C9H9FN2O
SMILES
C1CN1C(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C9H9FN2O/c10-7-1-3-8(4-2-7)11-9(13)12-5-6-12/h1-4H,5-6H2,(H,11,13)
InChIKey
BCGJNVMSWOITSZ-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)aziridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.06989 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.077166 135.9
[M+Na]+ 203.059108 145.5
[M-H]- 179.062614 141.1
[M+NH4]+ 198.103713 149.6
[M+K]+ 219.033048 142.0
[M+H-H2O]+ 163.067150 127.7
[M+HCOO]- 225.068091 159.3
[M+CH3COO]- 239.083741 185.0
[M+Na-2H]- 201.044556 142.4
[M]+ 180.06934142 136.0
[M]- 180.07043858 136.0
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

patents stripe