CID 521925

3-bromo-2,5-dichlorothiophene

Structural Information

Molecular Formula
C4HBrCl2S
SMILES
C1=C(SC(=C1Br)Cl)Cl
InChI
InChI=1S/C4HBrCl2S/c5-2-1-3(6)8-4(2)7/h1H
InChIKey
PBUHOXBSIQJRNO-UHFFFAOYSA-N
Compound name
3-bromo-2,5-dichlorothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
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

literature stripe

Patent stripe

patents stripe