CID 149424

4,5-dichlorothiophene-2-carbaldehyde

Structural Information

Molecular Formula
C5H2Cl2OS
SMILES
C1=C(SC(=C1Cl)Cl)C=O
InChI
InChI=1S/C5H2Cl2OS/c6-4-1-3(2-8)9-5(4)7/h1-2H
InChIKey
UTIRHZZQPMLIFQ-UHFFFAOYSA-N
Compound name
4,5-dichlorothiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

179.92033 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.92761 130.4
[M+Na]+ 202.90955 142.7
[M-H]- 178.91305 134.8
[M+NH4]+ 197.95415 154.4
[M+K]+ 218.88349 137.8
[M+H-H2O]+ 162.91759 127.9
[M+HCOO]- 224.91853 142.2
[M+CH3COO]- 238.93418 175.5
[M+Na-2H]- 200.89500 132.1
[M]+ 179.91978 135.6
[M]- 179.92088 135.6
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