CID 209185

19420-45-2

Structural Information

Molecular Formula
C10H10F3NO3
SMILES
CCOC(=O)OC1=C(C=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C10H10F3NO3/c1-2-16-9(15)17-8-4-3-6(5-7(8)14)10(11,12)13/h3-5H,2,14H2,1H3
InChIKey
VEACMVSUSKECKC-UHFFFAOYSA-N
Compound name
[2-amino-4-(trifluoromethyl)phenyl] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.06128 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06856 149.5
[M+Na]+ 272.05050 158.1
[M-H]- 248.05400 149.2
[M+NH4]+ 267.09510 166.5
[M+K]+ 288.02444 156.2
[M+H-H2O]+ 232.05854 141.0
[M+HCOO]- 294.05948 169.2
[M+CH3COO]- 308.07513 193.6
[M+Na-2H]- 270.03595 152.7
[M]+ 249.06073 147.4
[M]- 249.06183 147.4
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.