CID 67988236

4-iodo-1,3-oxazole

Structural Information

Molecular Formula
C3H2INO
SMILES
C1=C(N=CO1)I
InChI
InChI=1S/C3H2INO/c4-3-1-6-2-5-3/h1-2H
InChIKey
AXRSHCHZHQOGSY-UHFFFAOYSA-N
Compound name
4-iodo-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

194.9181 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.92538 118.4
[M+Na]+ 217.90732 121.0
[M-H]- 193.91082 114.8
[M+NH4]+ 212.95192 136.2
[M+K]+ 233.88126 127.7
[M+H-H2O]+ 177.91536 109.6
[M+HCOO]- 239.91630 138.3
[M+CH3COO]- 253.93195 170.5
[M+Na-2H]- 215.89277 115.8
[M]+ 194.91755 116.9
[M]- 194.91865 116.9
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