CID 43905

62064-73-7

Structural Information

Molecular Formula
C13H16F3NO3
SMILES
CCOC(=O)NCC(C1=CC(=CC=C1)C(F)(F)F)OC
InChI
InChI=1S/C13H16F3NO3/c1-3-20-12(18)17-8-11(19-2)9-5-4-6-10(7-9)13(14,15)16/h4-7,11H,3,8H2,1-2H3,(H,17,18)
InChIKey
HGVPRYBOGXQZDU-UHFFFAOYSA-N
Compound name
ethyl N-[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10822 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11550 163.4
[M+Na]+ 314.09744 169.6
[M-H]- 290.10094 162.8
[M+NH4]+ 309.14204 178.6
[M+K]+ 330.07138 167.8
[M+H-H2O]+ 274.10548 154.2
[M+HCOO]- 336.10642 181.8
[M+CH3COO]- 350.12207 202.9
[M+Na-2H]- 312.08289 165.6
[M]+ 291.10767 162.4
[M]- 291.10877 162.4
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.