CID 210590

Bg 11 jh

Structural Information

Molecular Formula
C15H19ClF3NO
SMILES
CCCC(CCC)(C(=O)NC1=CC(=C(C(=C1Cl)C)F)F)F
InChI
InChI=1S/C15H19ClF3NO/c1-4-6-15(19,7-5-2)14(21)20-11-8-10(17)13(18)9(3)12(11)16/h8H,4-7H2,1-3H3,(H,20,21)
InChIKey
PMFYASCWMUOSTD-UHFFFAOYSA-N
Compound name
N-(2-chloro-4,5-difluoro-3-methylphenyl)-2-fluoro-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

321.11072 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11800 170.4
[M+Na]+ 344.09994 179.6
[M-H]- 320.10344 170.4
[M+NH4]+ 339.14454 186.3
[M+K]+ 360.07388 173.8
[M+H-H2O]+ 304.10798 162.7
[M+HCOO]- 366.10892 184.1
[M+CH3COO]- 380.12457 212.5
[M+Na-2H]- 342.08539 170.2
[M]+ 321.11017 171.4
[M]- 321.11127 171.4
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

patents stripe