CID 210141

Brn 2892374

Structural Information

Molecular Formula
C19H16F3NO
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NC(=O)C#CC2=CC=CC=C2
InChI
InChI=1S/C19H16F3NO/c1-14(12-16-8-5-9-17(13-16)19(20,21)22)23-18(24)11-10-15-6-3-2-4-7-15/h2-9,13-14H,12H2,1H3,(H,23,24)
InChIKey
TTXKZCZXOPNCEQ-UHFFFAOYSA-N
Compound name
3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1184 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12568 180.3
[M+Na]+ 354.10762 188.1
[M-H]- 330.11112 180.0
[M+NH4]+ 349.15222 191.5
[M+K]+ 370.08156 180.6
[M+H-H2O]+ 314.11566 164.0
[M+HCOO]- 376.11660 192.2
[M+CH3COO]- 390.13225 215.1
[M+Na-2H]- 352.09307 180.1
[M]+ 331.11785 169.9
[M]- 331.11895 169.9
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.