CID 81718592

2-bromo-3,5-dichlorothiophene

Structural Information

Molecular Formula
C4HBrCl2S
SMILES
C1=C(SC(=C1Cl)Br)Cl
InChI
InChI=1S/C4HBrCl2S/c5-4-2(6)1-3(7)8-4/h1H
InChIKey
ZGSBEZDVYAEATI-UHFFFAOYSA-N
Compound name
2-bromo-3,5-dichlorothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.83594 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.84322 127.6
[M+Na]+ 252.82516 144.4
[M-H]- 228.82866 135.0
[M+NH4]+ 247.86976 153.5
[M+K]+ 268.79910 130.7
[M+H-H2O]+ 212.83320 131.0
[M+HCOO]- 274.83414 137.9
[M+CH3COO]- 288.84979 182.1
[M+Na-2H]- 250.81061 132.2
[M]+ 229.83539 149.9
[M]- 229.83649 149.9
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.