CID 76592

2,3,5-tribromothiophene

Structural Information

Molecular Formula
C4HBr3S
SMILES
C1=C(SC(=C1Br)Br)Br
InChI
InChI=1S/C4HBr3S/c5-2-1-3(6)8-4(2)7/h1H
InChIKey
SKDNDSLDRLEELJ-UHFFFAOYSA-N
Compound name
2,3,5-tribromothiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

305
Patents

317.73492 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.74220 122.4
[M+Na]+ 340.72414 133.7
[M-H]- 316.72764 129.3
[M+NH4]+ 335.76874 140.5
[M+K]+ 356.69808 118.3
[M+H-H2O]+ 300.73218 138.5
[M+HCOO]- 362.73312 132.2
[M+CH3COO]- 376.74877 214.6
[M+Na-2H]- 338.70959 128.2
[M]+ 317.73437 164.3
[M]- 317.73547 164.3
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