CID 146155112

3-chloro-5-methyl-4-(trifluoromethyl)pyridazine

Structural Information

Molecular Formula
C6H4ClF3N2
SMILES
CC1=CN=NC(=C1C(F)(F)F)Cl
InChI
InChI=1S/C6H4ClF3N2/c1-3-2-11-12-5(7)4(3)6(8,9)10/h2H,1H3
InChIKey
RESGMYNCXNFSKO-UHFFFAOYSA-N
Compound name
3-chloro-5-methyl-4-(trifluoromethyl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.00151 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00879 131.5
[M+Na]+ 218.99073 143.5
[M-H]- 194.99423 129.2
[M+NH4]+ 214.03533 149.6
[M+K]+ 234.96467 139.2
[M+H-H2O]+ 178.99877 123.2
[M+HCOO]- 240.99971 145.0
[M+CH3COO]- 255.01536 181.8
[M+Na-2H]- 216.97618 138.4
[M]+ 196.00096 129.9
[M]- 196.00206 129.9
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.