CID 3448016

Dibenzothiophene-2,8-dicarbaldehyde

Structural Information

Molecular Formula
C14H8O2S
SMILES
C1=CC2=C(C=C1C=O)C3=C(S2)C=CC(=C3)C=O
InChI
InChI=1S/C14H8O2S/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14(12)17-13/h1-8H
InChIKey
LFAGMIMSUYTWDN-UHFFFAOYSA-N
Compound name
dibenzothiophene-2,8-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

240.0245 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.03178 149.1
[M+Na]+ 263.01372 161.9
[M-H]- 239.01722 156.1
[M+NH4]+ 258.05832 172.0
[M+K]+ 278.98766 156.6
[M+H-H2O]+ 223.02176 144.1
[M+HCOO]- 285.02270 169.8
[M+CH3COO]- 299.03835 163.9
[M+Na-2H]- 260.99917 154.5
[M]+ 240.02395 155.9
[M]- 240.02505 155.9
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