CID 3041389

1,3,4-oxadiazole-2-methanol, 5-(3,4-dichlorophenyl)-, methylcarbamate (ester)

Structural Information

Molecular Formula
C11H9Cl2N3O3
SMILES
CNC(=O)OCC1=NN=C(O1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H9Cl2N3O3/c1-14-11(17)18-5-9-15-16-10(19-9)6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3,(H,14,17)
InChIKey
YUVFAFQMJZNTBX-UHFFFAOYSA-N
Compound name
[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0021 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.00938 163.0
[M+Na]+ 323.99132 173.5
[M-H]- 299.99482 167.8
[M+NH4]+ 319.03592 177.1
[M+K]+ 339.96526 169.6
[M+H-H2O]+ 283.99936 155.5
[M+HCOO]- 346.00030 176.4
[M+CH3COO]- 360.01595 199.7
[M+Na-2H]- 321.97677 166.4
[M]+ 301.00155 169.5
[M]- 301.00265 169.5
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

No patent data available for this compound.