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]+ 194.05358 135.3
[M+Na]+ 216.03552 145.5
[M-H]- 192.03902 131.3
[M+NH4]+ 211.08012 151.2
[M+K]+ 232.00946 141.5
[M+H-H2O]+ 176.04356 126.3
[M+HCOO]- 238.04450 152.7
[M+CH3COO]- 252.06015 180.7
[M+Na-2H]- 214.02097 141.3
[M]+ 193.04575 128.8
[M]- 193.04685 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.