CID 204377

Brn 2481372

Structural Information

Molecular Formula
C14H14F3NO4
SMILES
C#CCOCC(COC1=CC=CC(=C1)C(F)(F)F)OC(=O)N
InChI
InChI=1S/C14H14F3NO4/c1-2-6-20-8-12(22-13(18)19)9-21-11-5-3-4-10(7-11)14(15,16)17/h1,3-5,7,12H,6,8-9H2,(H2,18,19)
InChIKey
ZWUGMQPNIKMYMS-UHFFFAOYSA-N
Compound name
[1-prop-2-ynoxy-3-[3-(trifluoromethyl)phenoxy]propan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0875 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09478 171.6
[M+Na]+ 340.07672 178.3
[M+NH4]+ 335.12132 171.5
[M+K]+ 356.05066 171.2
[M-H]- 316.08022 159.3
[M+Na-2H]- 338.06217 170.1
[M]+ 317.08695 167.9
[M]- 317.08805 167.9
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.