CID 86287519

Clothianidin

Structural Information

Molecular Formula
C6H8ClN5O2S
SMILES
CN/C(=N\[N+](=O)[O-])/NCC1=CN=C(S1)Cl
InChI
InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)
InChIKey
PGOOBECODWQEAB-UHFFFAOYSA-N
Compound name
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

595
References

45280
Patents

249.00873 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.01601 148.9
[M+Na]+ 271.99795 155.0
[M-H]- 248.00145 152.6
[M+NH4]+ 267.04255 166.4
[M+K]+ 287.97189 148.0
[M+H-H2O]+ 232.00599 146.5
[M+HCOO]- 294.00693 168.2
[M+CH3COO]- 308.02258 189.8
[M+Na-2H]- 269.98340 154.2
[M]+ 249.00818 149.1
[M]- 249.00928 149.1
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.