CID 132354097

4-iodo-3,5-dimethoxy-1,2-thiazole

Structural Information

Molecular Formula
C5H6INO2S
SMILES
COC1=C(C(=NS1)OC)I
InChI
InChI=1S/C5H6INO2S/c1-8-4-3(6)5(9-2)10-7-4/h1-2H3
InChIKey
HBWQZWUCXVECGF-UHFFFAOYSA-N
Compound name
4-iodo-3,5-dimethoxy-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.9164 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.92368 138.0
[M+Na]+ 293.90562 141.8
[M-H]- 269.90912 134.6
[M+NH4]+ 288.95022 155.3
[M+K]+ 309.87956 146.6
[M+H-H2O]+ 253.91366 129.1
[M+HCOO]- 315.91460 153.4
[M+CH3COO]- 329.93025 183.9
[M+Na-2H]- 291.89107 128.8
[M]+ 270.91585 140.9
[M]- 270.91695 140.9
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.