CID 207168

Brn 2916686

Structural Information

Molecular Formula
C22H16F3NO4
SMILES
C1=CC=C(C=C1)C(=O)OCOC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C22H16F3NO4/c23-22(24,25)16-9-6-10-17(13-16)26-19-12-5-4-11-18(19)21(28)30-14-29-20(27)15-7-2-1-3-8-15/h1-13,26H,14H2
InChIKey
NBJJPWWKHAEOMF-UHFFFAOYSA-N
Compound name
benzoyloxymethyl 2-[3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.10315 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.11043 195.1
[M+Na]+ 438.09237 200.6
[M-H]- 414.09587 200.4
[M+NH4]+ 433.13697 203.9
[M+K]+ 454.06631 196.0
[M+H-H2O]+ 398.10041 182.4
[M+HCOO]- 460.10135 213.2
[M+CH3COO]- 474.11700 223.9
[M+Na-2H]- 436.07782 197.0
[M]+ 415.10260 193.2
[M]- 415.10370 193.2
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.