CID 2819006

583059-52-3

Structural Information

Molecular Formula
C14H13ClN2O3S
SMILES
C1=CC(=CC(=C1)C(=NO)N)CS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H13ClN2O3S/c15-12-4-6-13(7-5-12)21(19,20)9-10-2-1-3-11(8-10)14(16)17-18/h1-8,18H,9H2,(H2,16,17)
InChIKey
JEBLYWBMDYPQRL-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

324.03354 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04082 170.1
[M+Na]+ 347.02276 178.2
[M-H]- 323.02626 176.8
[M+NH4]+ 342.06736 184.6
[M+K]+ 362.99670 172.0
[M+H-H2O]+ 307.03080 163.6
[M+HCOO]- 369.03174 184.7
[M+CH3COO]- 383.04739 205.6
[M+Na-2H]- 345.00821 173.3
[M]+ 324.03299 172.9
[M]- 324.03409 172.9
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.