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]+ 286.967576 146.5
[M+Na]+ 308.949518 148.9
[M-H]- 284.953024 145.6
[M+NH4]+ 303.994123 160.4
[M+K]+ 324.923458 152.6
[M+H-H2O]+ 268.957560 135.9
[M+HCOO]- 330.958501 166.2
[M+CH3COO]- 344.974151 156.2
[M+Na-2H]- 306.934966 140.7
[M]+ 285.95975142 143.7
[M]- 285.96084858 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.