CID 207050

Brn 2907002

Structural Information

Molecular Formula
C17H14F3NO4
SMILES
CC(=O)OCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C17H14F3NO4/c1-11(22)24-10-25-16(23)14-7-2-3-8-15(14)21-13-6-4-5-12(9-13)17(18,19)20/h2-9,21H,10H2,1H3
InChIKey
SHQWQCXCWOQXDC-UHFFFAOYSA-N
Compound name
acetyloxymethyl 2-[3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.0875 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09478 180.1
[M+Na]+ 376.07672 188.3
[M+NH4]+ 371.12132 183.5
[M+K]+ 392.05066 183.7
[M-H]- 352.08022 177.9
[M+Na-2H]- 374.06217 184.3
[M]+ 353.08695 180.2
[M]- 353.08805 180.2
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.