CID 85573075

3,5-dibromo-2-(bromomethyl)thiophene

Structural Information

Molecular Formula
C5H3Br3S
SMILES
C1=C(SC(=C1Br)CBr)Br
InChI
InChI=1S/C5H3Br3S/c6-2-4-3(7)1-5(8)9-4/h1H,2H2
InChIKey
JUXLLONCMPFVSH-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-(bromomethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.75055 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.757826 125.7
[M+Na]+ 354.739768 136.7
[M-H]- 330.743274 132.4
[M+NH4]+ 349.784373 143.4
[M+K]+ 370.713708 121.1
[M+H-H2O]+ 314.747810 141.6
[M+HCOO]- 376.748751 135.3
[M+CH3COO]- 390.764401 216.2
[M+Na-2H]- 352.725216 131.0
[M]+ 331.75000142 167.8
[M]- 331.75109858 167.8
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

No patent data available for this compound.