CID 14626249

Imidacloprid-olefin

Structural Information

Molecular Formula
C9H8ClN5O2
SMILES
C1=CC(=NC=C1CN2C=CN=C2N[N+](=O)[O-])Cl
InChI
InChI=1S/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)
InChIKey
TYLCDJYHUVCRBH-UHFFFAOYSA-N
Compound name
N-[1-[(6-chloropyridin-3-yl)methyl]imidazol-2-yl]nitramide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

46
Patents

253.03665 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04393 150.7
[M+Na]+ 276.02587 158.8
[M-H]- 252.02937 153.8
[M+NH4]+ 271.07047 164.8
[M+K]+ 291.99981 150.6
[M+H-H2O]+ 236.03391 146.2
[M+HCOO]- 298.03485 170.7
[M+CH3COO]- 312.05050 187.4
[M+Na-2H]- 274.01132 159.1
[M]+ 253.03610 150.6
[M]- 253.03720 150.6
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