CID 2797106

2,5-dichlorothiophene-3-carbaldehyde

Structural Information

Molecular Formula
C5H2Cl2OS
SMILES
C1=C(SC(=C1C=O)Cl)Cl
InChI
InChI=1S/C5H2Cl2OS/c6-4-1-3(2-8)5(7)9-4/h1-2H
InChIKey
PTHQASYUHZFSKR-UHFFFAOYSA-N
Compound name
2,5-dichlorothiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

179.92033 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.927606 130.4
[M+Na]+ 202.909548 142.7
[M-H]- 178.913054 134.8
[M+NH4]+ 197.954153 154.4
[M+K]+ 218.883488 137.8
[M+H-H2O]+ 162.917590 127.9
[M+HCOO]- 224.918531 142.2
[M+CH3COO]- 238.934181 175.5
[M+Na-2H]- 200.894996 132.1
[M]+ 179.91978142 135.6
[M]- 179.92087858 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