CID 3041387

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

Structural Information

Molecular Formula
C11H10FN3O3
SMILES
CNC(=O)OCC1=NN=C(O1)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H10FN3O3/c1-13-11(16)17-6-9-14-15-10(18-9)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,16)
InChIKey
PAXHJJSWYIXFHY-UHFFFAOYSA-N
Compound name
[5-(4-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 154.3
[M+Na]+ 274.05984 165.4
[M+NH4]+ 269.10444 159.8
[M+K]+ 290.03378 162.7
[M-H]- 250.06334 155.8
[M+Na-2H]- 272.04529 159.8
[M]+ 251.07007 155.9
[M]- 251.07117 155.9
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.