CID 295091

6'-chloro-alpha,alpha,alpha-trifluoro-m-octanotoluidide

Structural Information

Molecular Formula
C15H19ClF3NO
SMILES
CCCCCCCC(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl
InChI
InChI=1S/C15H19ClF3NO/c1-2-3-4-5-6-7-14(21)20-13-10-11(15(17,18)19)8-9-12(13)16/h8-10H,2-7H2,1H3,(H,20,21)
InChIKey
DCCPZTFQVSVVJP-UHFFFAOYSA-N
Compound name
N-[2-chloro-5-(trifluoromethyl)phenyl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

321.11072 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11800 171.6
[M+Na]+ 344.09994 179.0
[M-H]- 320.10344 170.8
[M+NH4]+ 339.14454 186.9
[M+K]+ 360.07388 173.0
[M+H-H2O]+ 304.10798 163.3
[M+HCOO]- 366.10892 185.3
[M+CH3COO]- 380.12457 209.4
[M+Na-2H]- 342.08539 172.7
[M]+ 321.11017 171.8
[M]- 321.11127 171.8
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