CID 51273

Scs 159

Structural Information

Molecular Formula

C₁₁H₁₁F₃N₂O₃

SMILES

CCOC(=O)N(C1=CC=CC=C1C(F)(F)F)C(=O)N

InChI

InChI=1S/C11H11F3N2O3/c1-2-19-10(18)16(9(15)17)8-6-4-3-5-7(8)11(12,13)14/h3-6H,2H2,1H3,(H2,15,17)

InChIKey

FTERQIIEPDJLQN-UHFFFAOYSA-N

Compound name

ethyl N-carbamoyl-N-[2-(trifluoromethyl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 276.07217 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	277.079446	156.8
[M+Na]+	299.061388	163.4
[M-H]-	275.064894	157.5
[M+NH4]+	294.105993	172.6
[M+K]+	315.035328	162.7
[M+H-H2O]+	259.069430	147.5
[M+HCOO]-	321.070371	177.0
[M+CH3COO]-	335.086021	203.2
[M+Na-2H]-	297.046836	158.6
[M]+	276.07162142	153.7
[M]-	276.07271858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe