CID 23434082

3-(bromomethyl)-2,5-dichlorothiophene

Structural Information

Molecular Formula
C5H3BrCl2S
SMILES
C1=C(SC(=C1CBr)Cl)Cl
InChI
InChI=1S/C5H3BrCl2S/c6-2-3-1-4(7)9-5(3)8/h1H,2H2
InChIKey
ZBCJBLZAQDLWHT-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2,5-dichlorothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

243.8516 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.85888 132.1
[M+Na]+ 266.84082 148.6
[M-H]- 242.84432 139.4
[M+NH4]+ 261.88542 157.6
[M+K]+ 282.81476 134.6
[M+H-H2O]+ 226.84886 135.4
[M+HCOO]- 288.84980 142.1
[M+CH3COO]- 302.86545 184.8
[M+Na-2H]- 264.82627 136.2
[M]+ 243.85105 154.8
[M]- 243.85215 154.8
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

patents stripe