CID 13662078

4-bromo-2-iodothiazole

Structural Information

Molecular Formula
C3HBrINS
SMILES
C1=C(N=C(S1)I)Br
InChI
InChI=1S/C3HBrINS/c4-2-1-7-3(5)6-2/h1H
InChIKey
WQMDQASLYMLPGT-UHFFFAOYSA-N
Compound name
4-bromo-2-iodo-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

288.8058 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.81308 125.9
[M+Na]+ 311.79502 134.0
[M-H]- 287.79852 125.7
[M+NH4]+ 306.83962 146.2
[M+K]+ 327.76896 129.5
[M+H-H2O]+ 271.80306 123.5
[M+HCOO]- 333.80400 140.1
[M+CH3COO]- 347.81965 183.7
[M+Na-2H]- 309.78047 121.0
[M]+ 288.80525 142.8
[M]- 288.80635 142.8
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