CID 4252912

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

Structural Information

Molecular Formula
C3HBrINS
SMILES
C1=C(C(=NS1)Br)I
InChI
InChI=1S/C3HBrINS/c4-3-2(5)1-7-6-3/h1H
InChIKey
FRDAIETTXKDGMN-UHFFFAOYSA-N
Compound name
3-bromo-4-iodo-1,2-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

literature stripe

Patent stripe

patents stripe