CID 129453180

6-(aminomethyl)-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one hydrochloride

Structural Information

Molecular Formula
C6H6F3N3O
SMILES
C1=C(C(=O)NN=C1CN)C(F)(F)F
InChI
InChI=1S/C6H6F3N3O/c7-6(8,9)4-1-3(2-10)11-12-5(4)13/h1H,2,10H2,(H,12,13)
InChIKey
WWYBHBYZIHBNNE-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-5-(trifluoromethyl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0463 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.053576 135.3
[M+Na]+ 216.035518 145.5
[M-H]- 192.039024 131.3
[M+NH4]+ 211.080123 151.2
[M+K]+ 232.009458 141.5
[M+H-H2O]+ 176.043560 126.3
[M+HCOO]- 238.044501 152.7
[M+CH3COO]- 252.060151 180.7
[M+Na-2H]- 214.020966 141.3
[M]+ 193.04575142 128.8
[M]- 193.04684858 128.8
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.