CID 9588313

Brn 4496790

Structural Information

Molecular Formula
C11H9ClN2O4S
SMILES
C1=CC(=CC=C1S(=O)(=O)C2=CC=C(O2)/C(=N\O)/N)Cl
InChI
InChI=1S/C11H9ClN2O4S/c12-7-1-3-8(4-2-7)19(16,17)10-6-5-9(18-10)11(13)14-15/h1-6,15H,(H2,13,14)
InChIKey
DVEACIMSHPYFCH-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)sulfonyl-N'-hydroxyfuran-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.99716 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.00444 164.3
[M+Na]+ 322.98638 173.6
[M-H]- 298.98988 172.4
[M+NH4]+ 318.03098 180.4
[M+K]+ 338.96032 169.8
[M+H-H2O]+ 282.99442 158.9
[M+HCOO]- 344.99536 180.0
[M+CH3COO]- 359.01101 198.8
[M+Na-2H]- 320.97183 167.5
[M]+ 299.99661 168.7
[M]- 299.99771 168.7
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.