CID 3043555

Brn 1269906

Structural Information

Molecular Formula
C20H20F3NO4
SMILES
CC1(OCC(O1)COC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F)C
InChI
InChI=1S/C20H20F3NO4/c1-19(2)27-12-15(28-19)11-26-18(25)16-8-3-4-9-17(16)24-14-7-5-6-13(10-14)20(21,22)23/h3-10,15,24H,11-12H2,1-2H3
InChIKey
SSVCDEYKPPQRCM-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.13443 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.14171 190.6
[M+Na]+ 418.12365 197.3
[M-H]- 394.12715 197.8
[M+NH4]+ 413.16825 202.3
[M+K]+ 434.09759 195.8
[M+H-H2O]+ 378.13169 180.7
[M+HCOO]- 440.13263 206.6
[M+CH3COO]- 454.14828 220.3
[M+Na-2H]- 416.10910 192.6
[M]+ 395.13388 189.8
[M]- 395.13498 189.8
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.