CID 9588321

Brn 4522414

Structural Information

Molecular Formula
C11H8Cl2N2O4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)C2=CC=C(O2)/C(=N\O)/N)Cl)Cl
InChI
InChI=1S/C11H8Cl2N2O4S/c12-7-2-1-6(5-8(7)13)20(17,18)10-4-3-9(19-10)11(14)15-16/h1-5,16H,(H2,14,15)
InChIKey
HCZUKFKJXHCSOQ-UHFFFAOYSA-N
Compound name
5-(3,4-dichlorophenyl)sulfonyl-N'-hydroxyfuran-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.9582 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.96548 172.3
[M+Na]+ 356.94742 183.4
[M+NH4]+ 351.99202 178.8
[M+K]+ 372.92136 178.5
[M-H]- 332.95092 175.5
[M+Na-2H]- 354.93287 177.0
[M]+ 333.95765 175.6
[M]- 333.95875 175.6
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.