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]+ 293.978556 145.0
[M+Na]+ 315.960498 144.7
[M-H]- 291.964004 144.0
[M+NH4]+ 311.005103 152.4
[M+K]+ 331.934438 152.0
[M+H-H2O]+ 275.968540 129.3
[M+HCOO]- 337.969481 161.7
[M+CH3COO]- 351.985131 195.3
[M+Na-2H]- 313.945946 139.6
[M]+ 292.97073142 148.7
[M]- 292.97182858 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.