CID 165999365

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

Structural Information

Molecular Formula
C5H3Br2ClS
SMILES
C1=C(SC(=C1Br)CCl)Br
InChI
InChI=1S/C5H3Br2ClS/c6-3-1-5(7)9-4(3)2-8/h1H,2H2
InChIKey
BMUYLUIRFXOJQO-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-(chloromethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.80106 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.80834 128.0
[M+Na]+ 310.79028 143.4
[M-H]- 286.79378 136.3
[M+NH4]+ 305.83488 151.1
[M+K]+ 326.76422 126.1
[M+H-H2O]+ 270.79832 138.1
[M+HCOO]- 332.79926 139.0
[M+CH3COO]- 346.81491 198.6
[M+Na-2H]- 308.77573 133.7
[M]+ 287.80051 164.9
[M]- 287.80161 164.9
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.