CID 3054397

71263-24-6

Structural Information

Molecular Formula
C11H11F3N2O3
SMILES
CCOC(=O)N(C1=CC=CC(=C1)C(F)(F)F)C(=O)N
InChI
InChI=1S/C11H11F3N2O3/c1-2-19-10(18)16(9(15)17)8-5-3-4-7(6-8)11(12,13)14/h3-6H,2H2,1H3,(H2,15,17)
InChIKey
XIKPYGNPUIVKGX-UHFFFAOYSA-N
Compound name
ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.07217 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07945 156.8
[M+Na]+ 299.06139 163.4
[M-H]- 275.06489 157.5
[M+NH4]+ 294.10599 172.6
[M+K]+ 315.03533 162.7
[M+H-H2O]+ 259.06943 147.5
[M+HCOO]- 321.07037 177.0
[M+CH3COO]- 335.08602 203.2
[M+Na-2H]- 297.04684 158.6
[M]+ 276.07162 153.7
[M]- 276.07272 153.7
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.