CID 22087236

4-bromo-2,3-dimethylthiophene

Structural Information

Molecular Formula
C6H7BrS
SMILES
CC1=C(SC=C1Br)C
InChI
InChI=1S/C6H7BrS/c1-4-5(2)8-3-6(4)7/h3H,1-2H3
InChIKey
GJHAWQJOXYVXFF-UHFFFAOYSA-N
Compound name
4-bromo-2,3-dimethylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

189.94518 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.95246 124.7
[M+Na]+ 212.93440 139.5
[M-H]- 188.93790 132.5
[M+NH4]+ 207.97900 151.2
[M+K]+ 228.90834 128.7
[M+H-H2O]+ 172.94244 126.5
[M+HCOO]- 234.94338 143.7
[M+CH3COO]- 248.95903 179.5
[M+Na-2H]- 210.91985 129.3
[M]+ 189.94463 145.9
[M]- 189.94573 145.9
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