CID 16228742

3-chloro-6-cyclopropyl-4-(trifluoromethyl)pyridazine

Structural Information

Molecular Formula
C8H6ClF3N2
SMILES
C1CC1C2=NN=C(C(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C8H6ClF3N2/c9-7-5(8(10,11)12)3-6(13-14-7)4-1-2-4/h3-4H,1-2H2
InChIKey
ZCYSREKYURKOND-UHFFFAOYSA-N
Compound name
3-chloro-6-cyclopropyl-4-(trifluoromethyl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.01717 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02445 139.7
[M+Na]+ 245.00639 151.9
[M-H]- 221.00989 140.8
[M+NH4]+ 240.05099 151.6
[M+K]+ 260.98033 146.1
[M+H-H2O]+ 205.01443 129.7
[M+HCOO]- 267.01537 153.3
[M+CH3COO]- 281.03102 189.3
[M+Na-2H]- 242.99184 145.6
[M]+ 222.01662 139.6
[M]- 222.01772 139.6
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.