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

7
Patents

193.98601 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.99329 139.4
[M+Na]+ 216.97523 152.0
[M-H]- 192.97873 148.0
[M+NH4]+ 212.01983 163.8
[M+K]+ 232.94917 148.0
[M+H-H2O]+ 176.98327 135.0
[M+HCOO]- 238.98421 158.4
[M+CH3COO]- 252.99986 154.9
[M+Na-2H]- 214.96068 139.5
[M]+ 193.98546 144.8
[M]- 193.98656 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