CID 28603415

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

Structural Information

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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.