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

1
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 146.5
[M+Na]+ 308.94952 148.9
[M-H]- 284.95302 145.6
[M+NH4]+ 303.99412 160.4
[M+K]+ 324.92346 152.6
[M+H-H2O]+ 268.95756 135.9
[M+HCOO]- 330.95850 166.2
[M+CH3COO]- 344.97415 156.2
[M+Na-2H]- 306.93497 140.7
[M]+ 285.95975 143.7
[M]- 285.96085 143.7
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

patents stripe