CID 14239712

3-(chloromethyl)pyridazine hydrochloride

Structural Information

Molecular Formula
C5H5ClN2
SMILES
C1=CC(=NN=C1)CCl
InChI
InChI=1S/C5H5ClN2/c6-4-5-2-1-3-7-8-5/h1-3H,4H2
InChIKey
TWCGCUQPXQOQCA-UHFFFAOYSA-N
Compound name
3-(chloromethyl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

583
Patents

128.01413 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.02141 119.6
[M+Na]+ 151.00335 129.4
[M-H]- 127.00685 120.4
[M+NH4]+ 146.04795 139.8
[M+K]+ 166.97729 126.5
[M+H-H2O]+ 111.01139 113.4
[M+HCOO]- 173.01233 138.1
[M+CH3COO]- 187.02798 168.7
[M+Na-2H]- 148.98880 129.7
[M]+ 128.01358 120.8
[M]- 128.01468 120.8
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