CID 158619111

2-chloro-5-iodo-4-methyl-1,3-thiazole

Structural Information

Molecular Formula
C4H3ClINS
SMILES
CC1=C(SC(=N1)Cl)I
InChI
InChI=1S/C4H3ClINS/c1-2-3(6)8-4(5)7-2/h1H3
InChIKey
HXTRVPASUSETRR-UHFFFAOYSA-N
Compound name
2-chloro-5-iodo-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.87195 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.87923 128.5
[M+Na]+ 281.86117 133.6
[M-H]- 257.86467 125.3
[M+NH4]+ 276.90577 147.2
[M+K]+ 297.83511 136.1
[M+H-H2O]+ 241.86921 120.8
[M+HCOO]- 303.87015 139.5
[M+CH3COO]- 317.88580 181.0
[M+Na-2H]- 279.84662 119.6
[M]+ 258.87140 129.9
[M]- 258.87250 129.9
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

patents stripe