CID 146988127

2,4-diiodo-5-methyl-1,3-oxazole

Structural Information

Molecular Formula
C4H3I2NO
SMILES
CC1=C(N=C(O1)I)I
InChI
InChI=1S/C4H3I2NO/c1-2-3(5)7-4(6)8-2/h1H3
InChIKey
SSZSYORYVWGZHK-UHFFFAOYSA-N
Compound name
2,4-diiodo-5-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.8304 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.83768 129.4
[M+Na]+ 357.81962 125.3
[M-H]- 333.82312 121.3
[M+NH4]+ 352.86422 140.1
[M+K]+ 373.79356 136.8
[M+H-H2O]+ 317.82766 118.6
[M+HCOO]- 379.82860 142.1
[M+CH3COO]- 393.84425 194.4
[M+Na-2H]- 355.80507 118.8
[M]+ 334.82985 126.7
[M]- 334.83095 126.7
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

patents stripe