CID 818930

4-bromo-2,5-dimethylthiophene-3-carbaldehyde

Structural Information

Molecular Formula
C7H7BrOS
SMILES
CC1=C(C(=C(S1)C)Br)C=O
InChI
InChI=1S/C7H7BrOS/c1-4-6(3-9)7(8)5(2)10-4/h3H,1-2H3
InChIKey
NPQKHLRFRRMFMK-UHFFFAOYSA-N
Compound name
4-bromo-2,5-dimethylthiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

217.9401 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.947376 130.3
[M+Na]+ 240.929318 145.6
[M-H]- 216.932824 138.2
[M+NH4]+ 235.973923 155.8
[M+K]+ 256.903258 134.3
[M+H-H2O]+ 200.937360 131.9
[M+HCOO]- 262.938301 149.3
[M+CH3COO]- 276.953951 184.3
[M+Na-2H]- 238.914766 134.0
[M]+ 217.93955142 152.8
[M]- 217.94064858 152.8
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