CID 736499

4-(thiophen-2-yl)benzaldehyde

Structural Information

Molecular Formula
C11H8OS
SMILES
C1=CSC(=C1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C11H8OS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-8H
InChIKey
UECDQUOWFRTJOH-UHFFFAOYSA-N
Compound name
4-thiophen-2-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

331
Patents

188.02959 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03687 137.9
[M+Na]+ 211.01881 147.9
[M-H]- 187.02231 145.7
[M+NH4]+ 206.06341 160.2
[M+K]+ 226.99275 144.1
[M+H-H2O]+ 171.02685 132.3
[M+HCOO]- 233.02779 159.6
[M+CH3COO]- 247.04344 152.7
[M+Na-2H]- 209.00426 141.1
[M]+ 188.02904 140.4
[M]- 188.03014 140.4
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