CID 13394786

N-((2,6-dichlorobenzoyl)oxy)-n-ethyl-alpha-methyl-3-(trifluoromethyl)benzeneethanamine

Structural Information

Molecular Formula
C19H18Cl2F3NO2
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C19H18Cl2F3NO2/c1-3-25(27-18(26)17-15(20)8-5-9-16(17)21)12(2)10-13-6-4-7-14(11-13)19(22,23)24/h4-9,11-12H,3,10H2,1-2H3
InChIKey
FTMMVAFLHWCYHF-UHFFFAOYSA-N
Compound name
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 2,6-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.06668 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.07396 189.7
[M+Na]+ 442.05590 197.9
[M-H]- 418.05940 193.2
[M+NH4]+ 437.10050 202.0
[M+K]+ 458.02984 191.8
[M+H-H2O]+ 402.06394 180.6
[M+HCOO]- 464.06488 198.5
[M+CH3COO]- 478.08053 228.1
[M+Na-2H]- 440.04135 188.5
[M]+ 419.06613 193.4
[M]- 419.06723 193.4
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.