CID 773542

674819-28-4

Structural Information

Molecular Formula
C14H18ClNO4S
SMILES
C1CC(CCC1CNS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C14H18ClNO4S/c15-12-5-7-13(8-6-12)21(19,20)16-9-10-1-3-11(4-2-10)14(17)18/h5-8,10-11,16H,1-4,9H2,(H,17,18)
InChIKey
QSAMXYYSGGMNTJ-UHFFFAOYSA-N
Compound name
4-[[(4-chlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

331.0645 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07178 171.2
[M+Na]+ 354.05372 180.8
[M+NH4]+ 349.09832 177.8
[M+K]+ 370.02766 173.9
[M-H]- 330.05722 173.0
[M+Na-2H]- 352.03917 176.0
[M]+ 331.06395 173.5
[M]- 331.06505 173.5
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.