CID 3041379

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

Structural Information

Molecular Formula
C11H8F3N3O3
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NN=C(O2)COC(=O)N
InChI
InChI=1S/C11H8F3N3O3/c12-11(13,14)7-3-1-2-6(4-7)9-17-16-8(20-9)5-19-10(15)18/h1-4H,5H2,(H2,15,18)
InChIKey
IWXXMSQWSYJRMZ-UHFFFAOYSA-N
Compound name
[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05908 157.7
[M+Na]+ 310.04102 167.0
[M-H]- 286.04452 159.0
[M+NH4]+ 305.08562 170.5
[M+K]+ 326.01496 164.9
[M+H-H2O]+ 270.04906 147.1
[M+HCOO]- 332.05000 175.8
[M+CH3COO]- 346.06565 198.4
[M+Na-2H]- 308.02647 161.6
[M]+ 287.05125 156.2
[M]- 287.05235 156.2
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.