CID 14430811

2,3-dibromo-4-methylthiophene

Structural Information

Molecular Formula
C5H4Br2S
SMILES
CC1=CSC(=C1Br)Br
InChI
InChI=1S/C5H4Br2S/c1-3-2-8-5(7)4(3)6/h2H,1H3
InChIKey
WBYLRMUZATVKLP-UHFFFAOYSA-N
Compound name
2,3-dibromo-4-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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

No literature data available for this compound.

Patent stripe

patents stripe