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

0
Patents

180.06989 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07717 135.9
[M+Na]+ 203.05911 145.5
[M-H]- 179.06261 141.1
[M+NH4]+ 198.10371 149.6
[M+K]+ 219.03305 142.0
[M+H-H2O]+ 163.06715 127.7
[M+HCOO]- 225.06809 159.3
[M+CH3COO]- 239.08374 185.0
[M+Na-2H]- 201.04456 142.4
[M]+ 180.06934 136.0
[M]- 180.07044 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