CID 3578357

868255-61-2

Structural Information

Molecular Formula
C19H14F3NO
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CCNC3=C(C(=C(C=C3)F)F)F
InChI
InChI=1S/C19H14F3NO/c20-15-7-8-16(19(22)18(15)21)23-10-9-17(24)14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11,23H,9-10H2
InChIKey
GHAYEFNMOQQNKI-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-3-(2,3,4-trifluoroanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.10275 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.110026 173.9
[M+Na]+ 352.091968 182.7
[M-H]- 328.095474 177.7
[M+NH4]+ 347.136573 188.5
[M+K]+ 368.065908 175.9
[M+H-H2O]+ 312.100010 162.8
[M+HCOO]- 374.100951 193.4
[M+CH3COO]- 388.116601 214.3
[M+Na-2H]- 350.077416 176.7
[M]+ 329.10220142 171.1
[M]- 329.10329858 171.1
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.