CID 94498

Oxadiargyl

Structural Information

Molecular Formula
C15H14Cl2N2O3
SMILES
CC(C)(C)C1=NN(C(=O)O1)C2=CC(=C(C=C2Cl)Cl)OCC#C
InChI
InChI=1S/C15H14Cl2N2O3/c1-5-6-21-12-8-11(9(16)7-10(12)17)19-14(20)22-13(18-19)15(2,3)4/h1,7-8H,6H2,2-4H3
InChIKey
DVOODWOZJVJKQR-UHFFFAOYSA-N
Compound name
5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

20015
Patents

340.03815 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.04543 173.1
[M+Na]+ 363.02737 186.9
[M-H]- 339.03087 175.5
[M+NH4]+ 358.07197 184.6
[M+K]+ 379.00131 180.7
[M+H-H2O]+ 323.03541 159.8
[M+HCOO]- 385.03635 178.7
[M+CH3COO]- 399.05200 212.9
[M+Na-2H]- 361.01282 173.6
[M]+ 340.03760 175.1
[M]- 340.03870 175.1
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