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
3
Annotation Hits

1
References

43
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

literature stripe

Patent stripe

patents stripe