CID 12440084

3-chloro-4-methylpyridazine

Structural Information

Molecular Formula
C5H5ClN2
SMILES
CC1=C(N=NC=C1)Cl
InChI
InChI=1S/C5H5ClN2/c1-4-2-3-7-8-5(4)6/h2-3H,1H3
InChIKey
JUCXIWZFENGFJP-UHFFFAOYSA-N
Compound name
3-chloro-4-methylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

344
Patents

128.01413 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.02141 119.4
[M+Na]+ 151.00335 130.2
[M-H]- 127.00685 120.6
[M+NH4]+ 146.04795 140.0
[M+K]+ 166.97729 127.3
[M+H-H2O]+ 111.01139 113.5
[M+HCOO]- 173.01233 137.9
[M+CH3COO]- 187.02798 169.7
[M+Na-2H]- 148.98880 128.8
[M]+ 128.01358 121.0
[M]- 128.01468 121.0
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