CID 3061126

Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1h-imidazol-4-yl ester

Structural Information

Molecular Formula
C10H8FN3O4S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)OC2=C(NC=N2)C(=O)N
InChI
InChI=1S/C10H8FN3O4S/c11-6-1-3-7(4-2-6)19(16,17)18-10-8(9(12)15)13-5-14-10/h1-5H,(H2,12,15)(H,13,14)
InChIKey
LKPTUPAJBXARSW-UHFFFAOYSA-N
Compound name
(5-carbamoyl-1H-imidazol-4-yl) 4-fluorobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

285.02194 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.02922 158.8
[M+Na]+ 308.01116 167.3
[M+NH4]+ 303.05576 162.9
[M+K]+ 323.98510 164.8
[M-H]- 284.01466 157.0
[M+Na-2H]- 305.99661 162.7
[M]+ 285.02139 159.4
[M]- 285.02249 159.4
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

patents stripe