CID 79768582

N-(4-fluoro-2-iodophenyl)oxetan-3-amine

Structural Information

Molecular Formula
C9H9FINO
SMILES
C1C(CO1)NC2=C(C=C(C=C2)F)I
InChI
InChI=1S/C9H9FINO/c10-6-1-2-9(8(11)3-6)12-7-4-13-5-7/h1-3,7,12H,4-5H2
InChIKey
KYJQYRGLHPARSW-UHFFFAOYSA-N
Compound name
N-(4-fluoro-2-iodophenyl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.97128 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.97856 145.0
[M+Na]+ 315.96050 144.7
[M-H]- 291.96400 144.0
[M+NH4]+ 311.00510 152.4
[M+K]+ 331.93444 152.0
[M+H-H2O]+ 275.96854 129.3
[M+HCOO]- 337.96948 161.7
[M+CH3COO]- 351.98513 195.3
[M+Na-2H]- 313.94595 139.6
[M]+ 292.97073 148.7
[M]- 292.97183 148.7
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

No patent data available for this compound.