CID 641359

Dibenzo[b,d]thiophene-4-carbaldehyde

Structural Information

Molecular Formula
C13H8OS
SMILES
C1=CC=C2C(=C1)C3=CC=CC(=C3S2)C=O
InChI
InChI=1S/C13H8OS/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h1-8H
InChIKey
XESZAOMRYLSHOM-UHFFFAOYSA-N
Compound name
dibenzothiophene-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

212.02959 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03687 141.7
[M+Na]+ 235.01881 154.1
[M-H]- 211.02231 148.6
[M+NH4]+ 230.06341 165.7
[M+K]+ 250.99275 149.1
[M+H-H2O]+ 195.02685 136.9
[M+HCOO]- 257.02779 162.5
[M+CH3COO]- 271.04344 156.8
[M+Na-2H]- 233.00426 148.2
[M]+ 212.02904 147.1
[M]- 212.03014 147.1
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