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]+ 223.024446 139.7
[M+Na]+ 245.006388 151.9
[M-H]- 221.009894 140.8
[M+NH4]+ 240.050993 151.6
[M+K]+ 260.980328 146.1
[M+H-H2O]+ 205.014430 129.7
[M+HCOO]- 267.015371 153.3
[M+CH3COO]- 281.031021 189.3
[M+Na-2H]- 242.991836 145.6
[M]+ 222.01662142 139.6
[M]- 222.01771858 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.