CID 57642648

2,5-dibromo-3-chlorothiophene

Structural Information

Molecular Formula
C4HBr2ClS
SMILES
C1=C(SC(=C1Cl)Br)Br
InChI
InChI=1S/C4HBr2ClS/c5-3-1-2(7)4(6)8-3/h1H
InChIKey
PDFIWWRRJPGOEB-UHFFFAOYSA-N
Compound name
2,5-dibromo-3-chlorothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

273.78543 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.79271 123.9
[M+Na]+ 296.77465 139.6
[M-H]- 272.77815 132.3
[M+NH4]+ 291.81925 147.5
[M+K]+ 312.74859 122.6
[M+H-H2O]+ 256.78269 134.2
[M+HCOO]- 318.78363 135.2
[M+CH3COO]- 332.79928 196.3
[M+Na-2H]- 294.76010 130.1
[M]+ 273.78488 160.6
[M]- 273.78598 160.6
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