CID 3041386

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

Structural Information

Molecular Formula
C11H10FN3O3
SMILES
CNC(=O)OCC1=NN=C(O1)C2=CC(=CC=C2)F
InChI
InChI=1S/C11H10FN3O3/c1-13-11(16)17-6-9-14-15-10(18-9)7-3-2-4-8(12)5-7/h2-5H,6H2,1H3,(H,13,16)
InChIKey
BMQDXEOOADQGNZ-UHFFFAOYSA-N
Compound name
[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.07062 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.077896 152.1
[M+Na]+ 274.059838 160.9
[M-H]- 250.063344 156.2
[M+NH4]+ 269.104443 166.7
[M+K]+ 290.033778 159.5
[M+H-H2O]+ 234.067880 142.7
[M+HCOO]- 296.068821 174.6
[M+CH3COO]- 310.084471 193.0
[M+Na-2H]- 272.045286 157.2
[M]+ 251.07007142 154.3
[M]- 251.07116858 154.3
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.