CID 17980288

1246525-60-9

Structural Information

Molecular Formula
C17H10F9NO2
SMILES
C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)C(F)(F)F
InChI
InChI=1S/C17H10F9NO2/c18-15(19,20)11-3-1-9(2-4-11)13(28)27-12-7-5-10(6-8-12)14(29,16(21,22)23)17(24,25)26/h1-8,29H,(H,27,28)
InChIKey
DUXWIYXHHGNUJU-UHFFFAOYSA-N
Compound name
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

43
Patents

431.0568 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.06408 188.9
[M+Na]+ 454.04602 197.0
[M-H]- 430.04952 183.3
[M+NH4]+ 449.09062 197.2
[M+K]+ 470.01996 191.1
[M+H-H2O]+ 414.05406 174.8
[M+HCOO]- 476.05500 195.1
[M+CH3COO]- 490.07065 224.0
[M+Na-2H]- 452.03147 191.1
[M]+ 431.05625 175.0
[M]- 431.05735 175.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe