CID 29886

4-dibenzothiophenecarboxylic acid

Structural Information

Molecular Formula
C13H8O2S
SMILES
C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C(=O)O
InChI
InChI=1S/C13H8O2S/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7H,(H,14,15)
InChIKey
WHDBZUDFOQNASQ-UHFFFAOYSA-N
Compound name
dibenzothiophene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

42
Patents

228.0245 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03178 145.7
[M+Na]+ 251.01372 157.0
[M-H]- 227.01722 151.2
[M+NH4]+ 246.05832 168.1
[M+K]+ 266.98766 152.2
[M+H-H2O]+ 211.02176 141.2
[M+HCOO]- 273.02270 164.1
[M+CH3COO]- 287.03835 159.8
[M+Na-2H]- 248.99917 150.9
[M]+ 228.02395 150.1
[M]- 228.02505 150.1
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

No patent data available for this compound.