CID 9570352

Nifuron

Structural Information

Molecular Formula
C11H13Cl2N3O3
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=C/C=N/N(CCCl)CCCl
InChI
InChI=1S/C11H13Cl2N3O3/c12-5-8-15(9-6-13)14-7-1-2-10-3-4-11(19-10)16(17)18/h1-4,7H,5-6,8-9H2/b2-1+,14-7+
InChIKey
ZKWWRCVSLWBZMJ-KGYSUWQBSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0334 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.04068 166.6
[M+Na]+ 328.02262 177.4
[M+NH4]+ 323.06722 173.4
[M+K]+ 343.99656 174.6
[M-H]- 304.02612 170.6
[M+Na-2H]- 326.00807 170.4
[M]+ 305.03285 169.4
[M]- 305.03395 169.4
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.