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

18
Patents

217.9401 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.94738 130.3
[M+Na]+ 240.92932 145.6
[M-H]- 216.93282 138.2
[M+NH4]+ 235.97392 155.8
[M+K]+ 256.90326 134.3
[M+H-H2O]+ 200.93736 131.9
[M+HCOO]- 262.93830 149.3
[M+CH3COO]- 276.95395 184.3
[M+Na-2H]- 238.91477 134.0
[M]+ 217.93955 152.8
[M]- 217.94065 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