CID 10198227

2-bromo-5-(chloromethyl)thiophene

Structural Information

Molecular Formula
C5H4BrClS
SMILES
C1=C(SC(=C1)Br)CCl
InChI
InChI=1S/C5H4BrClS/c6-5-2-1-4(3-7)8-5/h1-2H,3H2
InChIKey
RGAWORKAZJRWOL-UHFFFAOYSA-N
Compound name
2-bromo-5-(chloromethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

209.89056 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.897836 127.1
[M+Na]+ 232.879778 142.4
[M-H]- 208.883284 134.6
[M+NH4]+ 227.924383 153.3
[M+K]+ 248.853718 129.8
[M+H-H2O]+ 192.887820 129.6
[M+HCOO]- 254.888761 142.0
[M+CH3COO]- 268.904411 179.3
[M+Na-2H]- 230.865226 132.4
[M]+ 209.89001142 149.1
[M]- 209.89110858 149.1
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