CID 74403

3-chloro-6-methoxypyridazine

Structural Information

Molecular Formula
C5H5ClN2O
SMILES
COC1=NN=C(C=C1)Cl
InChI
InChI=1S/C5H5ClN2O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3
InChIKey
XBJLKXOOHLLTPG-UHFFFAOYSA-N
Compound name
3-chloro-6-methoxypyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1081
Patents

144.00903 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.016306 122.3
[M+Na]+ 166.998248 133.1
[M-H]- 143.001754 123.6
[M+NH4]+ 162.042853 142.2
[M+K]+ 182.972188 130.7
[M+H-H2O]+ 127.006290 116.2
[M+HCOO]- 189.007231 141.1
[M+CH3COO]- 203.022881 171.7
[M+Na-2H]- 164.983696 131.7
[M]+ 144.00848142 125.4
[M]- 144.00957858 125.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe