CID 10130527

Desnitro-imidacloprid

Structural Information

Molecular Formula
C9H11ClN4
SMILES
C1CN(C(=N1)N)CC2=CN=C(C=C2)Cl
InChI
InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)
InChIKey
UEQZFAGVRGWPDK-UHFFFAOYSA-N
Compound name
1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

11
References

92
Patents

210.06723 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07451 144.5
[M+Na]+ 233.05645 153.9
[M-H]- 209.05995 146.7
[M+NH4]+ 228.10105 161.4
[M+K]+ 249.03039 149.0
[M+H-H2O]+ 193.06449 135.8
[M+HCOO]- 255.06543 161.5
[M+CH3COO]- 269.08108 156.7
[M+Na-2H]- 231.04190 148.9
[M]+ 210.06668 143.6
[M]- 210.06778 143.6
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