CID 3041380

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

Structural Information

Molecular Formula
C10H7Cl2N3O3
SMILES
C1=CC(=C(C=C1C2=NN=C(O2)COC(=O)N)Cl)Cl
InChI
InChI=1S/C10H7Cl2N3O3/c11-6-2-1-5(3-7(6)12)9-15-14-8(18-9)4-17-10(13)16/h1-3H,4H2,(H2,13,16)
InChIKey
MRFMWROFNYCKGD-UHFFFAOYSA-N
Compound name
[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.98645 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.993726 158.4
[M+Na]+ 309.975668 169.2
[M-H]- 285.979174 162.8
[M+NH4]+ 305.020273 172.7
[M+K]+ 325.949608 165.3
[M+H-H2O]+ 269.983710 151.1
[M+HCOO]- 331.984651 171.5
[M+CH3COO]- 346.000301 196.9
[M+Na-2H]- 307.961116 161.3
[M]+ 286.98590142 163.7
[M]- 286.98699858 163.7
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.