CID 136241533

5-hydroxyimidacloprid

Structural Information

Molecular Formula
C9H10ClN5O3
SMILES
C1C(N(/C(=N/[N+](=O)[O-])/N1)CC2=CN=C(C=C2)Cl)O
InChI
InChI=1S/C9H10ClN5O3/c10-7-2-1-6(3-11-7)5-14-8(16)4-12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)
InChIKey
MATMQDMQFSFQHB-UHFFFAOYSA-N
Compound name
(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-hydroxyimidazolidin-2-ylidene]nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

271.0472 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.054476 156.2
[M+Na]+ 294.036418 162.9
[M-H]- 270.039924 157.7
[M+NH4]+ 289.081023 168.9
[M+K]+ 310.010358 154.3
[M+H-H2O]+ 254.044460 152.3
[M+HCOO]- 316.045401 172.3
[M+CH3COO]- 330.061051 187.1
[M+Na-2H]- 292.021866 161.8
[M]+ 271.04665142 152.4
[M]- 271.04774858 152.4
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