CID 99162

Nsc190488

Structural Information

Molecular Formula
C16H13ClF3NO2
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C16H13ClF3NO2/c1-10-7-12(17)5-6-14(10)23-9-15(22)21-13-4-2-3-11(8-13)16(18,19)20/h2-8H,9H2,1H3,(H,21,22)
InChIKey
PXOAPXKYVHUJCO-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

343.0587 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.06598 173.2
[M+Na]+ 366.04792 182.3
[M-H]- 342.05142 176.3
[M+NH4]+ 361.09252 187.4
[M+K]+ 382.02186 176.3
[M+H-H2O]+ 326.05596 163.8
[M+HCOO]- 388.05690 188.2
[M+CH3COO]- 402.07255 211.3
[M+Na-2H]- 364.03337 175.7
[M]+ 343.05815 173.4
[M]- 343.05925 173.4
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