CID 2724559

3-bromo-2-chlorothiophene

Structural Information

Molecular Formula
C4H2BrClS
SMILES
C1=CSC(=C1Br)Cl
InChI
InChI=1S/C4H2BrClS/c5-3-1-2-7-4(3)6/h1-2H
InChIKey
KSHOQKKCPJELBV-UHFFFAOYSA-N
Compound name
3-bromo-2-chlorothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

444
Patents

195.87491 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.88219 122.5
[M+Na]+ 218.86413 138.2
[M-H]- 194.86763 130.2
[M+NH4]+ 213.90873 149.2
[M+K]+ 234.83807 125.9
[M+H-H2O]+ 178.87217 125.2
[M+HCOO]- 240.87311 137.7
[M+CH3COO]- 254.88876 176.5
[M+Na-2H]- 216.84958 128.3
[M]+ 195.87436 144.1
[M]- 195.87546 144.1
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