CID 5955855

329059-01-0

Structural Information

Molecular Formula
C21H19F6NO
SMILES
CC(C)CC1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C21H19F6NO/c1-13(2)9-15-5-3-14(4-6-15)7-8-19(29)28-18-11-16(20(22,23)24)10-17(12-18)21(25,26)27/h3-8,10-13H,9H2,1-2H3,(H,28,29)/b8-7+
InChIKey
AEEJVSBJDWVVJY-BQYQJAHWSA-N
Compound name
(E)-N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1371 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.14438 195.0
[M+Na]+ 438.12632 202.0
[M-H]- 414.12982 193.6
[M+NH4]+ 433.17092 205.1
[M+K]+ 454.10026 195.2
[M+H-H2O]+ 398.13436 182.0
[M+HCOO]- 460.13530 206.8
[M+CH3COO]- 474.15095 227.8
[M+Na-2H]- 436.11177 193.0
[M]+ 415.13655 187.2
[M]- 415.13765 187.2
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.