CID 16656802

Halauxifen-methyl

Structural Information

Molecular Formula
C14H11Cl2FN2O3
SMILES
COC1=C(C=CC(=C1F)C2=NC(=C(C(=C2)N)Cl)C(=O)OC)Cl
InChI
InChI=1S/C14H11Cl2FN2O3/c1-21-13-7(15)4-3-6(11(13)17)9-5-8(18)10(16)12(19-9)14(20)22-2/h3-5H,1-2H3,(H2,18,19)
InChIKey
KDHKOPYYWOHESS-UHFFFAOYSA-N
Compound name
methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

4438
Patents

344.01306 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.02034 170.4
[M+Na]+ 367.00228 182.5
[M-H]- 343.00578 174.7
[M+NH4]+ 362.04688 184.2
[M+K]+ 382.97622 176.7
[M+H-H2O]+ 327.01032 163.1
[M+HCOO]- 389.01126 183.0
[M+CH3COO]- 403.02691 212.4
[M+Na-2H]- 364.98773 170.8
[M]+ 344.01251 176.0
[M]- 344.01361 176.0
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.