CID 24212596

853314-00-8

Structural Information

Molecular Formula
C15H8Cl4F3NO2
SMILES
C1=CC(=CC(=C1)NC(=O)COC2=C(C(=C(C=C2Cl)Cl)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C15H8Cl4F3NO2/c16-9-5-10(17)14(13(19)12(9)18)25-6-11(24)23-8-3-1-2-7(4-8)15(20,21)22/h1-5H,6H2,(H,23,24)
InChIKey
GLVXXPUNFCOGAG-UHFFFAOYSA-N
Compound name
2-(2,3,4,6-tetrachlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.92612 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.93340 182.1
[M+Na]+ 453.91534 192.9
[M-H]- 429.91884 182.4
[M+NH4]+ 448.95994 193.6
[M+K]+ 469.88928 185.5
[M+H-H2O]+ 413.92338 175.4
[M+HCOO]- 475.92432 181.9
[M+CH3COO]- 489.93997 223.9
[M+Na-2H]- 451.90079 181.1
[M]+ 430.92557 184.2
[M]- 430.92667 184.2
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.