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

13
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 175.5
[M+Na]+ 328.02262 181.2
[M-H]- 304.02612 180.6
[M+NH4]+ 323.06722 191.5
[M+K]+ 343.99656 174.2
[M+H-H2O]+ 288.03066 174.0
[M+HCOO]- 350.03160 194.5
[M+CH3COO]- 364.04725 202.7
[M+Na-2H]- 326.00807 179.6
[M]+ 305.03285 180.5
[M]- 305.03395 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