CID 122373

3,5-dibromo-2-methylthiophene

Structural Information

Molecular Formula
C5H4Br2S
SMILES
CC1=C(C=C(S1)Br)Br
InChI
InChI=1S/C5H4Br2S/c1-3-4(6)2-5(7)8-3/h2H,1H3
InChIKey
OGAJGUIMFMRGRB-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

253.84006 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.84734 130.5
[M+Na]+ 276.82928 125.7
[M+NH4]+ 271.87388 133.6
[M+K]+ 292.80322 132.2
[M-H]- 252.83278 131.5
[M+Na-2H]- 274.81473 132.4
[M]+ 253.83951 129.2
[M]- 253.84061 129.2
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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