CID 4346778

2-(dibenzothiophene-2-ylcarbonyl)benzoic acid

Structural Information

Molecular Formula
C20H12O3S
SMILES
C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C(=O)C4=CC=CC=C4C(=O)O
InChI
InChI=1S/C20H12O3S/c21-19(14-6-1-2-7-15(14)20(22)23)12-9-10-18-16(11-12)13-5-3-4-8-17(13)24-18/h1-11H,(H,22,23)
InChIKey
VQILOYSAQXLEAU-UHFFFAOYSA-N
Compound name
2-(dibenzothiophene-2-carbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

332.05072 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05800 172.9
[M+Na]+ 355.03994 188.4
[M+NH4]+ 350.08454 182.4
[M+K]+ 371.01388 180.1
[M-H]- 331.04344 178.0
[M+Na-2H]- 353.02539 181.0
[M]+ 332.05017 177.2
[M]- 332.05127 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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