CID 7096355

4,5-dibromo-3-methylthiophene-2-carbaldehyde

Structural Information

Molecular Formula
C6H4Br2OS
SMILES
CC1=C(SC(=C1Br)Br)C=O
InChI
InChI=1S/C6H4Br2OS/c1-3-4(2-9)10-6(8)5(3)7/h2H,1H3
InChIKey
YMMPWYHKLLYDTN-UHFFFAOYSA-N
Compound name
4,5-dibromo-3-methylthiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

281.83496 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.84224 135.5
[M+Na]+ 304.82418 130.6
[M+NH4]+ 299.86878 138.1
[M+K]+ 320.79812 137.2
[M-H]- 280.82768 136.1
[M+Na-2H]- 302.80963 136.8
[M]+ 281.83441 134.1
[M]- 281.83551 134.1
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