CID 9588313

75745-71-0

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]+ 301.004436 164.3
[M+Na]+ 322.986378 173.6
[M-H]- 298.989884 172.4
[M+NH4]+ 318.030983 180.4
[M+K]+ 338.960318 169.8
[M+H-H2O]+ 282.994420 158.9
[M+HCOO]- 344.995361 180.0
[M+CH3COO]- 359.011011 198.8
[M+Na-2H]- 320.971826 167.5
[M]+ 299.99661142 168.7
[M]- 299.99770858 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.