CID 72697760

5-bromo-3-chlorothiophene-2-carbaldehyde

Structural Information

Molecular Formula
C5H2BrClOS
SMILES
C1=C(SC(=C1Cl)C=O)Br
InChI
InChI=1S/C5H2BrClOS/c6-5-1-3(7)4(2-8)9-5/h1-2H
InChIKey
CMYNALMSTBXLMN-UHFFFAOYSA-N
Compound name
5-bromo-3-chlorothiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

223.86983 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.87711 128.3
[M+Na]+ 246.85905 144.5
[M-H]- 222.86255 136.2
[M+NH4]+ 241.90365 154.1
[M+K]+ 262.83299 131.7
[M+H-H2O]+ 206.86709 130.9
[M+HCOO]- 268.86803 143.5
[M+CH3COO]- 282.88368 181.2
[M+Na-2H]- 244.84450 133.1
[M]+ 223.86928 151.3
[M]- 223.87038 151.3
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