CID 46205171

923288-59-9

Structural Information

Molecular Formula
C8H9Cl2N3O
SMILES
CC1=C(C(=NC(=C1Cl)C)Cl)/C(=N/O)/N
InChI
InChI=1S/C8H9Cl2N3O/c1-3-5(8(11)13-14)7(10)12-4(2)6(3)9/h14H,1-2H3,(H2,11,13)
InChIKey
WRFGQLDAKOYZHS-UHFFFAOYSA-N
Compound name
2,5-dichloro-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

233.01227 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.01955 147.6
[M+Na]+ 256.00149 158.5
[M-H]- 232.00499 149.8
[M+NH4]+ 251.04609 165.5
[M+K]+ 271.97543 153.4
[M+H-H2O]+ 216.00953 143.0
[M+HCOO]- 278.01047 162.3
[M+CH3COO]- 292.02612 194.6
[M+Na-2H]- 253.98694 150.4
[M]+ 233.01172 149.6
[M]- 233.01282 149.6
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