CID 615403

Brn 4336069

Structural Information

Molecular Formula
C12H10FN3O7S
SMILES
CCOC1=C(C=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F)[N+](=O)[O-]
InChI
InChI=1S/C12H10FN3O7S/c1-2-23-10-4-3-7(5-9(10)16(19)20)24(21,22)15-6-8(13)11(17)14-12(15)18/h3-6H,2H2,1H3,(H,14,17,18)
InChIKey
QGPBUKYVJAFVIK-UHFFFAOYSA-N
Compound name
1-(4-ethoxy-3-nitrophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

359.02234 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.02962 170.2
[M+Na]+ 382.01156 182.1
[M+NH4]+ 377.05616 173.0
[M+K]+ 397.98550 180.1
[M-H]- 358.01506 169.3
[M+Na-2H]- 379.99701 174.5
[M]+ 359.02179 171.6
[M]- 359.02289 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.