CID 5220374

N-(2,2,2-trichloro-1-(phenylsulfonyl)ethyl)nonanamide

Structural Information

Molecular Formula
C17H24Cl3NO3S
SMILES
CCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)S(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C17H24Cl3NO3S/c1-2-3-4-5-6-10-13-15(22)21-16(17(18,19)20)25(23,24)14-11-8-7-9-12-14/h7-9,11-12,16H,2-6,10,13H2,1H3,(H,21,22)
InChIKey
NYIMPZNBVYBROG-UHFFFAOYSA-N
Compound name
N-[1-(benzenesulfonyl)-2,2,2-trichloroethyl]nonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.05426 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.06154 193.5
[M+Na]+ 450.04348 198.2
[M-H]- 426.04698 195.2
[M+NH4]+ 445.08808 205.1
[M+K]+ 466.01742 191.3
[M+H-H2O]+ 410.05152 189.3
[M+HCOO]- 472.05246 192.9
[M+CH3COO]- 486.06811 220.6
[M+Na-2H]- 448.02893 193.0
[M]+ 427.05371 200.5
[M]- 427.05481 200.5
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.