CID 9588315

Brn 4546911

Structural Information

Molecular Formula
C11H9N3O6S
SMILES
C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=C(O2)/C(=N\O)/N
InChI
InChI=1S/C11H9N3O6S/c12-11(13-15)9-5-6-10(20-9)21(18,19)8-3-1-7(2-4-8)14(16)17/h1-6,15H,(H2,12,13)
InChIKey
GWGYAJBUNHKETM-UHFFFAOYSA-N
Compound name
N'-hydroxy-5-(4-nitrophenyl)sulfonylfuran-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.0212 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.02848 163.4
[M+Na]+ 334.01042 169.3
[M-H]- 310.01392 171.0
[M+NH4]+ 329.05502 176.4
[M+K]+ 349.98436 163.3
[M+H-H2O]+ 294.01846 160.7
[M+HCOO]- 356.01940 184.3
[M+CH3COO]- 370.03505 195.8
[M+Na-2H]- 331.99587 170.2
[M]+ 311.02065 163.4
[M]- 311.02175 163.4
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.