CID 33775

Norflurazon

Structural Information

Molecular Formula
C12H9ClF3N3O
SMILES
CNC1=C(C(=O)N(N=C1)C2=CC=CC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3
InChIKey
NVGOPFQZYCNLDU-UHFFFAOYSA-N
Compound name
4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

220
References

29282
Patents

303.03864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04592 161.8
[M+Na]+ 326.02786 173.7
[M-H]- 302.03136 162.8
[M+NH4]+ 321.07246 175.2
[M+K]+ 342.00180 167.0
[M+H-H2O]+ 286.03590 151.2
[M+HCOO]- 348.03684 176.0
[M+CH3COO]- 362.05249 203.7
[M+Na-2H]- 324.01331 166.8
[M]+ 303.03809 160.9
[M]- 303.03919 160.9
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

patents stripe