CID 12726855

3-hydrazinyl-6-[3-(trifluoromethyl)phenyl]pyridazine

Structural Information

Molecular Formula
C11H9F3N4
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NN=C(C=C2)NN
InChI
InChI=1S/C11H9F3N4/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-10(16-15)18-17-9/h1-6H,15H2,(H,16,18)
InChIKey
PXEUYRFAPQWCHN-UHFFFAOYSA-N
Compound name
[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

254.07793 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08521 152.5
[M+Na]+ 277.06715 161.4
[M-H]- 253.07065 152.8
[M+NH4]+ 272.11175 166.0
[M+K]+ 293.04109 156.2
[M+H-H2O]+ 237.07519 141.3
[M+HCOO]- 299.07613 171.9
[M+CH3COO]- 313.09178 197.7
[M+Na-2H]- 275.05260 159.6
[M]+ 254.07738 146.1
[M]- 254.07848 146.1
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

patents stripe