CID 118010404

1005346-26-8

Structural Information

Molecular Formula
C3BrClINS
SMILES
C1(=C(SC(=N1)Cl)I)Br
InChI
InChI=1S/C3BrClINS/c4-1-2(6)8-3(5)7-1
InChIKey
DQABICFDDLQMPK-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-5-iodo-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

322.7668 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.77408 128.5
[M+Na]+ 345.75602 138.1
[M-H]- 321.75952 128.6
[M+NH4]+ 340.80062 148.6
[M+K]+ 361.72996 131.8
[M+H-H2O]+ 305.76406 126.9
[M+HCOO]- 367.76500 138.5
[M+CH3COO]- 381.78065 188.0
[M+Na-2H]- 343.74147 123.0
[M]+ 322.76625 147.1
[M]- 322.76735 147.1
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