CID 3041377

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

Structural Information

Molecular Formula
C10H8FN3O3
SMILES
C1=CC(=CC(=C1)F)C2=NN=C(O2)COC(=O)N
InChI
InChI=1S/C10H8FN3O3/c11-7-3-1-2-6(4-7)9-14-13-8(17-9)5-16-10(12)15/h1-4H,5H2,(H2,12,15)
InChIKey
MXIOXPWPSOLCQS-UHFFFAOYSA-N
Compound name
[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.05496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06224 149.7
[M+Na]+ 260.04418 160.6
[M+NH4]+ 255.08878 155.2
[M+K]+ 276.01812 158.4
[M-H]- 236.04768 151.1
[M+Na-2H]- 258.02963 155.1
[M]+ 237.05441 151.2
[M]- 237.05551 151.2
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.