CID 37419

Butamifos

Structural Information

Molecular Formula
C13H21N2O4PS
SMILES
CCC(C)NP(=S)(OCC)OC1=C(C=CC(=C1)C)[N+](=O)[O-]
InChI
InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-13-9-10(3)7-8-12(13)15(16)17/h7-9,11H,5-6H2,1-4H3,(H,14,21)
InChIKey
OEYOMNZEMCPTKN-UHFFFAOYSA-N
Compound name
N-[ethoxy-(5-methyl-2-nitrophenoxy)phosphinothioyl]butan-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

19106
Patents

332.09598 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10326 171.9
[M+Na]+ 355.08520 176.1
[M-H]- 331.08870 174.3
[M+NH4]+ 350.12980 185.7
[M+K]+ 371.05914 169.7
[M+H-H2O]+ 315.09324 167.0
[M+HCOO]- 377.09418 195.3
[M+CH3COO]- 391.10983 206.4
[M+Na-2H]- 353.07065 173.5
[M]+ 332.09543 175.4
[M]- 332.09653 175.4
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