CID 86644308

3-chloro-6-(difluoromethoxy)pyridazine

Structural Information

Molecular Formula
C5H3ClF2N2O
SMILES
C1=CC(=NN=C1OC(F)F)Cl
InChI
InChI=1S/C5H3ClF2N2O/c6-3-1-2-4(10-9-3)11-5(7)8/h1-2,5H
InChIKey
TVCUIKGHEJKMFP-UHFFFAOYSA-N
Compound name
3-chloro-6-(difluoromethoxy)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

179.9902 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.99748 126.1
[M+Na]+ 202.97942 136.7
[M-H]- 178.98292 124.6
[M+NH4]+ 198.02402 144.3
[M+K]+ 218.95336 133.7
[M+H-H2O]+ 162.98746 118.1
[M+HCOO]- 224.98840 141.9
[M+CH3COO]- 239.00405 178.0
[M+Na-2H]- 200.96487 133.2
[M]+ 179.98965 126.4
[M]- 179.99075 126.4
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