CID 12245923

2-bromo-5-(bromomethyl)thiophene

Structural Information

Molecular Formula
C5H4Br2S
SMILES
C1=C(SC(=C1)Br)CBr
InChI
InChI=1S/C5H4Br2S/c6-3-4-1-2-5(7)8-4/h1-2H,3H2
InChIKey
OECAOMHGRQHCGG-UHFFFAOYSA-N
Compound name
2-bromo-5-(bromomethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

253.84006 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.84734 130.9
[M+Na]+ 276.82928 125.9
[M+NH4]+ 271.87388 134.0
[M+K]+ 292.80322 132.3
[M-H]- 252.83278 131.9
[M+Na-2H]- 274.81473 132.9
[M]+ 253.83951 129.6
[M]- 253.84061 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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