CID 3041388

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

Structural Information

Molecular Formula
C12H10F3N3O3
SMILES
CNC(=O)OCC1=NN=C(O1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C12H10F3N3O3/c1-16-11(19)20-6-9-17-18-10(21-9)7-3-2-4-8(5-7)12(13,14)15/h2-5H,6H2,1H3,(H,16,19)
InChIKey
YWDXHRYILDFFSV-UHFFFAOYSA-N
Compound name
[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0674 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07468 162.4
[M+Na]+ 324.05662 171.3
[M-H]- 300.06012 163.9
[M+NH4]+ 319.10122 174.9
[M+K]+ 340.03056 169.3
[M+H-H2O]+ 284.06466 151.6
[M+HCOO]- 346.06560 180.7
[M+CH3COO]- 360.08125 201.3
[M+Na-2H]- 322.04207 166.7
[M]+ 301.06685 162.0
[M]- 301.06795 162.0
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.