CID 22291166

4-bromo-2-(chloromethyl)thiophene

Structural Information

Molecular Formula
C5H4BrClS
SMILES
C1=C(SC=C1Br)CCl
InChI
InChI=1S/C5H4BrClS/c6-4-1-5(2-7)8-3-4/h1,3H,2H2
InChIKey
JOPVYZZZKLTMMD-UHFFFAOYSA-N
Compound name
4-bromo-2-(chloromethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

209.89056 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.89784 127.1
[M+Na]+ 232.87978 142.4
[M-H]- 208.88328 134.6
[M+NH4]+ 227.92438 153.3
[M+K]+ 248.85372 129.8
[M+H-H2O]+ 192.88782 129.6
[M+HCOO]- 254.88876 142.0
[M+CH3COO]- 268.90441 179.3
[M+Na-2H]- 230.86523 132.4
[M]+ 209.89001 149.1
[M]- 209.89111 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