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-chloro-3-pyridinyl)methyl]imidazol-2-yl]nitramide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

53
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.