CID 310696

Nsc215620

Structural Information

Molecular Formula
C12H9FN4O3
SMILES
C1=CC=C(C(=C1)NC(=O)NC2=NC=C(C=C2)[N+](=O)[O-])F
InChI
InChI=1S/C12H9FN4O3/c13-9-3-1-2-4-10(9)15-12(18)16-11-6-5-8(7-14-11)17(19)20/h1-7H,(H2,14,15,16,18)
InChIKey
MQHATRYXFKMPQQ-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-3-(5-nitropyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.06586 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07314 154.5
[M+Na]+ 299.05508 160.3
[M-H]- 275.05858 158.9
[M+NH4]+ 294.09968 167.3
[M+K]+ 315.02902 153.0
[M+H-H2O]+ 259.06312 149.2
[M+HCOO]- 321.06406 179.7
[M+CH3COO]- 335.07971 195.3
[M+Na-2H]- 297.04053 163.0
[M]+ 276.06531 150.3
[M]- 276.06641 150.3
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.