CID 18772488

Picloram-isoctyl

Structural Information

Molecular Formula
C14H19Cl3N2O2
SMILES
CC(C)CCCCCOC(=O)C1=NC(=C(C(=C1Cl)N)Cl)Cl
InChI
InChI=1S/C14H19Cl3N2O2/c1-8(2)6-4-3-5-7-21-14(20)12-9(15)11(18)10(16)13(17)19-12/h8H,3-7H2,1-2H3,(H2,18,19)
InChIKey
NGZWZIAGFHOSDS-UHFFFAOYSA-N
Compound name
6-methylheptyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1425
Patents

352.0512 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.05848 175.6
[M+Na]+ 375.04042 184.3
[M-H]- 351.04392 175.8
[M+NH4]+ 370.08502 189.1
[M+K]+ 391.01436 178.2
[M+H-H2O]+ 335.04846 170.9
[M+HCOO]- 397.04940 181.3
[M+CH3COO]- 411.06505 214.8
[M+Na-2H]- 373.02587 173.3
[M]+ 352.05065 181.5
[M]- 352.05175 181.5
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