CID 2063643

2,2'-bithiophene-5,5'-dicarboxaldehyde

Structural Information

Molecular Formula
C10H6O2S2
SMILES
C1=C(SC(=C1)C2=CC=C(S2)C=O)C=O
InChI
InChI=1S/C10H6O2S2/c11-5-7-1-3-9(13-7)10-4-2-8(6-12)14-10/h1-6H
InChIKey
RXAXZMANGDHIJX-UHFFFAOYSA-N
Compound name
5-(5-formylthiophen-2-yl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

221.98093 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.98821 146.8
[M+Na]+ 244.97015 159.7
[M-H]- 220.97365 155.5
[M+NH4]+ 240.01475 170.2
[M+K]+ 260.94409 155.2
[M+H-H2O]+ 204.97819 142.4
[M+HCOO]- 266.97913 165.8
[M+CH3COO]- 280.99478 183.4
[M+Na-2H]- 242.95560 146.0
[M]+ 221.98038 153.5
[M]- 221.98148 153.5
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

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