CID 137698983

5-iodo-2-methoxy-1,3-thiazole

Structural Information

Molecular Formula
C4H4INOS
SMILES
COC1=NC=C(S1)I
InChI
InChI=1S/C4H4INOS/c1-7-4-6-2-3(5)8-4/h2H,1H3
InChIKey
BJXYUVVOTHWELC-UHFFFAOYSA-N
Compound name
5-iodo-2-methoxy-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

240.90582 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.91310 129.8
[M+Na]+ 263.89504 133.4
[M-H]- 239.89854 126.3
[M+NH4]+ 258.93964 148.1
[M+K]+ 279.86898 138.1
[M+H-H2O]+ 223.90308 121.0
[M+HCOO]- 285.90402 145.4
[M+CH3COO]- 299.91967 178.1
[M+Na-2H]- 261.88049 121.7
[M]+ 240.90527 130.7
[M]- 240.90637 130.7
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