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]+ 332.75783 125.7
[M+Na]+ 354.73977 136.7
[M-H]- 330.74327 132.4
[M+NH4]+ 349.78437 143.4
[M+K]+ 370.71371 121.1
[M+H-H2O]+ 314.74781 141.6
[M+HCOO]- 376.74875 135.3
[M+CH3COO]- 390.76440 216.2
[M+Na-2H]- 352.72522 131.0
[M]+ 331.75000 167.8
[M]- 331.75110 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.