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

34
Patents

281.83496 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.842236 126.3
[M+Na]+ 304.824178 140.9
[M-H]- 280.827684 134.6
[M+NH4]+ 299.868783 148.8
[M+K]+ 320.798118 125.0
[M+H-H2O]+ 264.832220 135.5
[M+HCOO]- 326.833161 140.9
[M+CH3COO]- 340.848811 199.6
[M+Na-2H]- 302.809626 131.5
[M]+ 281.83441142 163.0
[M]- 281.83550858 163.0
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