CID 148722101

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

Structural Information

Molecular Formula
C4H3BrINS
SMILES
CC1=NC(=C(S1)I)Br
InChI
InChI=1S/C4H3BrINS/c1-2-7-3(5)4(6)8-2/h1H3
InChIKey
NZHBOMYGAAQVRU-UHFFFAOYSA-N
Compound name
4-bromo-5-iodo-2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.82144 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.828716 129.4
[M+Na]+ 325.810658 137.8
[M-H]- 301.814164 129.3
[M+NH4]+ 320.855263 149.4
[M+K]+ 341.784598 133.0
[M+H-H2O]+ 285.818700 127.0
[M+HCOO]- 347.819641 143.2
[M+CH3COO]- 361.835291 187.3
[M+Na-2H]- 323.796106 123.5
[M]+ 302.82089142 146.9
[M]- 302.82198858 146.9
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.