CID 7185002

895651-88-4

Structural Information

Molecular Formula
C16H10O6S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=CC(=C3)C(=O)O)OC2=O
InChI
InChI=1S/C16H10O6S/c17-15(18)10-6-7-13-11(8-10)9-14(16(19)22-13)23(20,21)12-4-2-1-3-5-12/h1-9H,(H,17,18)
InChIKey
YTSBFAKPBQURMK-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-2-oxochromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

330.0198 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.02708 168.8
[M+Na]+ 353.00902 178.5
[M-H]- 329.01252 176.7
[M+NH4]+ 348.05362 181.8
[M+K]+ 368.98296 175.6
[M+H-H2O]+ 313.01706 161.7
[M+HCOO]- 375.01800 184.2
[M+CH3COO]- 389.03365 202.0
[M+Na-2H]- 350.99447 175.1
[M]+ 330.01925 174.2
[M]- 330.02035 174.2
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

No patent data available for this compound.