CID 210145

Bg 11 ji

Structural Information

Molecular Formula
C16H19F6NO
SMILES
CCCC(CCC)C(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C16H19F6NO/c1-3-5-10(6-4-2)14(24)23-13-8-11(15(17,18)19)7-12(9-13)16(20,21)22/h7-10H,3-6H2,1-2H3,(H,23,24)
InChIKey
NMHLCGOFHYOVDB-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1371 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14438 178.8
[M+Na]+ 378.12632 185.4
[M-H]- 354.12982 174.3
[M+NH4]+ 373.17092 191.6
[M+K]+ 394.10026 181.0
[M+H-H2O]+ 338.13436 167.5
[M+HCOO]- 400.13530 190.8
[M+CH3COO]- 414.15095 217.8
[M+Na-2H]- 376.11177 177.7
[M]+ 355.13655 171.9
[M]- 355.13765 171.9
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.