CID 175711

2-ethylhexyl 3,6-dichloropyridine-2-carboxylate

Structural Information

Molecular Formula
C14H19Cl2NO2
SMILES
CCCCC(CC)COC(=O)C1=C(C=CC(=N1)Cl)Cl
InChI
InChI=1S/C14H19Cl2NO2/c1-3-5-6-10(4-2)9-19-14(18)13-11(15)7-8-12(16)17-13/h7-8,10H,3-6,9H2,1-2H3
InChIKey
BOOFNDJFNWCPQD-UHFFFAOYSA-N
Compound name
2-ethylhexyl 3,6-dichloropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

303.07928 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.086556 165.5
[M+Na]+ 326.068498 173.6
[M-H]- 302.072004 166.8
[M+NH4]+ 321.113103 181.0
[M+K]+ 342.042438 168.4
[M+H-H2O]+ 286.076540 159.8
[M+HCOO]- 348.077481 176.3
[M+CH3COO]- 362.093131 203.5
[M+Na-2H]- 324.053946 166.3
[M]+ 303.07873142 172.4
[M]- 303.07982858 172.4
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