CID 12874109

2-bromo-4-(chloromethyl)thiophene

Structural Information

Molecular Formula
C5H4BrClS
SMILES
C1=C(SC=C1CCl)Br
InChI
InChI=1S/C5H4BrClS/c6-5-1-4(2-7)3-8-5/h1,3H,2H2
InChIKey
CDFSPUOWARZVSY-UHFFFAOYSA-N
Compound name
2-bromo-4-(chloromethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

209.89056 Da
Monoisotopic Mass

3.0
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

No literature data available for this compound.

Patent stripe

patents stripe