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]+ 330.11003 173.9
[M+Na]+ 352.09197 182.7
[M-H]- 328.09547 177.7
[M+NH4]+ 347.13657 188.5
[M+K]+ 368.06591 175.9
[M+H-H2O]+ 312.10001 162.8
[M+HCOO]- 374.10095 193.4
[M+CH3COO]- 388.11660 214.3
[M+Na-2H]- 350.07742 176.7
[M]+ 329.10220 171.1
[M]- 329.10330 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.