CID 165909637

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

Structural Information

Molecular Formula
C3Cl2INS
SMILES
C1(=C(SC(=N1)Cl)I)Cl
InChI
InChI=1S/C3Cl2INS/c4-1-2(6)8-3(5)7-1
InChIKey
DVGDZPLJGAKVOU-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-iodo-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.81732 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.824596 128.5
[M+Na]+ 301.806538 134.1
[M-H]- 277.810044 124.9
[M+NH4]+ 296.851143 146.7
[M+K]+ 317.780478 135.6
[M+H-H2O]+ 261.814580 121.6
[M+HCOO]- 323.815521 135.0
[M+CH3COO]- 337.831171 182.7
[M+Na-2H]- 299.791986 119.8
[M]+ 278.81677142 130.2
[M]- 278.81786858 130.2
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.