CID 22629228

3-chloro-6-ethynylpyridazine

Structural Information

Molecular Formula
C6H3ClN2
SMILES
C#CC1=NN=C(C=C1)Cl
InChI
InChI=1S/C6H3ClN2/c1-2-5-3-4-6(7)9-8-5/h1,3-4H
InChIKey
HSQKIWUBKOPOGK-UHFFFAOYSA-N
Compound name
3-chloro-6-ethynylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

137.99847 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.00575 120.7
[M+Na]+ 160.98769 133.0
[M-H]- 136.99119 120.0
[M+NH4]+ 156.03229 138.3
[M+K]+ 176.96163 128.4
[M+H-H2O]+ 120.99573 108.4
[M+HCOO]- 182.99667 133.5
[M+CH3COO]- 197.01232 133.1
[M+Na-2H]- 158.97314 128.4
[M]+ 137.99792 116.3
[M]- 137.99902 116.3
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