CID 207245

Brn 2174070

Structural Information

Molecular Formula
C14H14F3NO4
SMILES
C#CCOCC(COC1=CC=CC=C1C(F)(F)F)OC(=O)N
InChI
InChI=1S/C14H14F3NO4/c1-2-7-20-8-10(22-13(18)19)9-21-12-6-4-3-5-11(12)14(15,16)17/h1,3-6,10H,7-9H2,(H2,18,19)
InChIKey
KFZMYGKAXZVKJW-UHFFFAOYSA-N
Compound name
[1-prop-2-ynoxy-3-[2-(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 166.8
[M+Na]+ 340.07672 174.4
[M-H]- 316.08022 164.1
[M+NH4]+ 335.12132 178.5
[M+K]+ 356.05066 171.5
[M+H-H2O]+ 300.08476 151.6
[M+HCOO]- 362.08570 179.2
[M+CH3COO]- 376.10135 211.8
[M+Na-2H]- 338.06217 166.8
[M]+ 317.08695 160.3
[M]- 317.08805 160.3
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.