CID 137377843

Schembl20606921

Structural Information

Molecular Formula
C11H12F3N5
SMILES
CC1=CC(=NN=C1C2=CN(N=C2C(F)(F)F)C)CN
InChI
InChI=1S/C11H12F3N5/c1-6-3-7(4-15)16-17-9(6)8-5-19(2)18-10(8)11(12,13)14/h3,5H,4,15H2,1-2H3
InChIKey
ISQYHIVTGMTLNQ-UHFFFAOYSA-N
Compound name
[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

271.1045 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11178 159.8
[M+Na]+ 294.09372 171.2
[M-H]- 270.09722 158.3
[M+NH4]+ 289.13832 172.7
[M+K]+ 310.06766 165.9
[M+H-H2O]+ 254.10176 148.3
[M+HCOO]- 316.10270 176.2
[M+CH3COO]- 330.11835 200.7
[M+Na-2H]- 292.07917 162.2
[M]+ 271.10395 156.7
[M]- 271.10505 156.7
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