CID 16768544

4-(thiophen-2-yl)thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C9H6OS2
SMILES
C1=CSC(=C1)C2=CSC(=C2)C=O
InChI
InChI=1S/C9H6OS2/c10-5-8-4-7(6-12-8)9-2-1-3-11-9/h1-6H
InChIKey
BTZMKZIXZVISIV-UHFFFAOYSA-N
Compound name
4-thiophen-2-ylthiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

193.98601 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.993286 139.4
[M+Na]+ 216.975228 152.0
[M-H]- 192.978734 148.0
[M+NH4]+ 212.019833 163.8
[M+K]+ 232.949168 148.0
[M+H-H2O]+ 176.983270 135.0
[M+HCOO]- 238.984211 158.4
[M+CH3COO]- 252.999861 154.9
[M+Na-2H]- 214.960676 139.5
[M]+ 193.98546142 144.8
[M]- 193.98655858 144.8
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