CID 3670293

3-(4-iodophenyl)-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C9H7IN2O
SMILES
C1=CC(=CC=C1C2=NOC(=C2)N)I
InChI
InChI=1S/C9H7IN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2
InChIKey
MCHPDUJYVJXRRB-UHFFFAOYSA-N
Compound name
3-(4-iodophenyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.9603 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.96758 147.8
[M+Na]+ 308.94952 153.4
[M+NH4]+ 303.99412 152.0
[M+K]+ 324.92346 152.2
[M-H]- 284.95302 146.5
[M+Na-2H]- 306.93497 142.8
[M]+ 285.95975 147.1
[M]- 285.96085 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.