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

38
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 141.6
[M+Na]+ 235.01881 157.5
[M+NH4]+ 230.06341 153.1
[M+K]+ 250.99275 148.2
[M-H]- 211.02231 146.2
[M+Na-2H]- 233.00426 149.6
[M]+ 212.02904 145.9
[M]- 212.03014 145.9
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