CID 5821911

Thiamethoxam

Structural Information

Molecular Formula
C8H10ClN5O3S
SMILES
CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl
InChI
InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+
InChIKey
NWWZPOKUUAIXIW-DHZHZOJOSA-N
Compound name
(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1024
References

52026
Patents

291.0193 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.026576 161.2
[M+Na]+ 314.008518 168.4
[M-H]- 290.012024 166.0
[M+NH4]+ 309.053123 173.8
[M+K]+ 329.982458 161.9
[M+H-H2O]+ 274.016560 157.6
[M+HCOO]- 336.017501 173.2
[M+CH3COO]- 350.033151 193.6
[M+Na-2H]- 311.993966 164.7
[M]+ 291.01875142 161.3
[M]- 291.01984858 161.3
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