CID 22633249

3-ethynylthiophene-2-carbaldehyde

Structural Information

Molecular Formula
C7H4OS
SMILES
C#CC1=C(SC=C1)C=O
InChI
InChI=1S/C7H4OS/c1-2-6-3-4-9-7(6)5-8/h1,3-5H
InChIKey
HYCZIFAHGJJTGL-UHFFFAOYSA-N
Compound name
3-ethynylthiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

135.99829 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.00557 130.7
[M+Na]+ 158.98751 143.5
[M-H]- 134.99101 134.5
[M+NH4]+ 154.03211 152.8
[M+K]+ 174.96145 139.8
[M+H-H2O]+ 118.99555 120.1
[M+HCOO]- 180.99649 146.3
[M+CH3COO]- 195.01214 179.3
[M+Na-2H]- 156.97296 132.6
[M]+ 135.99774 128.1
[M]- 135.99884 128.1
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