CID 91712

72280-52-5

Structural Information

Molecular Formula
C17H13Cl2NO4
SMILES
CC(C(=O)OCC#C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)Cl
InChI
InChI=1S/C17H13Cl2NO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3
InChIKey
ASALLPQQHGTWEF-UHFFFAOYSA-N
Compound name
prop-2-ynyl 2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

492
Patents

365.02216 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.02944 172.6
[M+Na]+ 388.01138 187.0
[M+NH4]+ 383.05598 176.0
[M+K]+ 403.98532 177.1
[M-H]- 364.01488 167.2
[M+Na-2H]- 385.99683 176.9
[M]+ 365.02161 172.9
[M]- 365.02271 172.9
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

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