CID 540860

Ghvjthrhdnvurk-uhfffaoysa-n

Structural Information

Molecular Formula
C14H11ClO4S
SMILES
CC(=O)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H11ClO4S/c1-10(16)19-12-4-8-14(9-5-12)20(17,18)13-6-2-11(15)3-7-13/h2-9H,1H3
InChIKey
GHVJTHRHDNVURK-UHFFFAOYSA-N
Compound name
[4-(4-chlorophenyl)sulfonylphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.00665 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.013926 163.9
[M+Na]+ 332.995868 173.7
[M-H]- 308.999374 171.6
[M+NH4]+ 328.040473 180.1
[M+K]+ 348.969808 168.8
[M+H-H2O]+ 293.003910 158.0
[M+HCOO]- 355.004851 177.6
[M+CH3COO]- 369.020501 198.1
[M+Na-2H]- 330.981316 167.3
[M]+ 310.00610142 170.6
[M]- 310.00719858 170.6
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.