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

11
Patents

305.0334 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.040676 175.5
[M+Na]+ 328.022618 181.2
[M-H]- 304.026124 180.6
[M+NH4]+ 323.067223 191.5
[M+K]+ 343.996558 174.2
[M+H-H2O]+ 288.030660 174.0
[M+HCOO]- 350.031601 194.5
[M+CH3COO]- 364.047251 202.7
[M+Na-2H]- 326.008066 179.6
[M]+ 305.03285142 180.5
[M]- 305.03394858 180.5
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

patents stripe