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]+ 252.07790 152.1
[M+Na]+ 274.05984 160.9
[M-H]- 250.06334 156.2
[M+NH4]+ 269.10444 166.7
[M+K]+ 290.03378 159.5
[M+H-H2O]+ 234.06788 142.7
[M+HCOO]- 296.06882 174.6
[M+CH3COO]- 310.08447 193.0
[M+Na-2H]- 272.04529 157.2
[M]+ 251.07007 154.3
[M]- 251.07117 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.