CID 1415677

Thiophene-2,4-dicarboxaldehyde

Structural Information

Molecular Formula
C6H4O2S
SMILES
C1=C(SC=C1C=O)C=O
InChI
InChI=1S/C6H4O2S/c7-2-5-1-6(3-8)9-4-5/h1-4H
InChIKey
JJUMWUDQTQMMGT-UHFFFAOYSA-N
Compound name
thiophene-2,4-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

139.9932 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.00048 124.3
[M+Na]+ 162.98242 134.8
[M-H]- 138.98592 129.0
[M+NH4]+ 158.02702 148.6
[M+K]+ 178.95636 132.8
[M+H-H2O]+ 122.99046 119.8
[M+HCOO]- 184.99140 146.2
[M+CH3COO]- 199.00705 169.6
[M+Na-2H]- 160.96787 127.6
[M]+ 139.99265 128.0
[M]- 139.99375 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe