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 177.3
[M+Na]+ 376.07672 183.9
[M-H]- 352.08022 180.0
[M+NH4]+ 371.12132 189.5
[M+K]+ 392.05066 180.8
[M+H-H2O]+ 336.08476 166.5
[M+HCOO]- 398.08570 196.0
[M+CH3COO]- 412.10135 213.1
[M+Na-2H]- 374.06217 179.4
[M]+ 353.08695 176.4
[M]- 353.08805 176.4
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.