CID 589268

23576-24-1

Structural Information

Molecular Formula
C11H7ClF3N3O
SMILES
C1=CC(=CC(=C1)N2C(=O)C(=C(C=N2)N)Cl)C(F)(F)F
InChI
InChI=1S/C11H7ClF3N3O/c12-9-8(16)5-17-18(10(9)19)7-3-1-2-6(4-7)11(13,14)15/h1-5H,16H2
InChIKey
JIEQNXJEEHWIDV-UHFFFAOYSA-N
Compound name
5-amino-4-chloro-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

21
Patents

289.02298 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.03026 157.7
[M+Na]+ 312.01220 170.1
[M-H]- 288.01570 158.4
[M+NH4]+ 307.05680 171.4
[M+K]+ 327.98614 163.3
[M+H-H2O]+ 272.02024 147.5
[M+HCOO]- 334.02118 171.7
[M+CH3COO]- 348.03683 200.2
[M+Na-2H]- 309.99765 162.2
[M]+ 289.02243 155.5
[M]- 289.02353 155.5
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