CID 117543

25539-16-6

Structural Information

Molecular Formula
C16H14O8S
SMILES
COC(=O)C1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)O)C(=O)OC
InChI
InChI=1S/C16H14O8S/c1-22-15(17)10-7-11(16(18)23-2)9-13(8-10)24-12-3-5-14(6-4-12)25(19,20)21/h3-9H,1-2H3,(H,19,20,21)
InChIKey
PEYLEEFRRFAALM-UHFFFAOYSA-N
Compound name
4-[3,5-bis(methoxycarbonyl)phenoxy]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

366.04092 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.04820 178.3
[M+Na]+ 389.03014 188.8
[M+NH4]+ 384.07474 182.2
[M+K]+ 405.00408 184.5
[M-H]- 365.03364 178.0
[M+Na-2H]- 387.01559 183.1
[M]+ 366.04037 179.9
[M]- 366.04147 179.9
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

patents stripe