CID 522803

83863-63-2

Structural Information

Molecular Formula
C12H8O4S
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)O
InChI
InChI=1S/C12H8O4S/c13-17(14,15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H,(H,13,14,15)
InChIKey
JANFYPHFIPGYTQ-UHFFFAOYSA-N
Compound name
dibenzofuran-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

309
Patents

248.01433 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.02161 148.4
[M+Na]+ 271.00355 160.9
[M-H]- 247.00705 154.9
[M+NH4]+ 266.04815 168.7
[M+K]+ 286.97749 157.9
[M+H-H2O]+ 231.01159 144.4
[M+HCOO]- 293.01253 166.4
[M+CH3COO]- 307.02818 162.9
[M+Na-2H]- 268.98900 157.1
[M]+ 248.01378 155.3
[M]- 248.01488 155.3
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