CID 13011177

3,5-dibromo-2-chlorothiophene

Structural Information

Molecular Formula
C4HBr2ClS
SMILES
C1=C(SC(=C1Br)Cl)Br
InChI
InChI=1S/C4HBr2ClS/c5-2-1-3(6)8-4(2)7/h1H
InChIKey
NWWJGDMQJADJET-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-chlorothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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

literature stripe

Patent stripe

patents stripe