CID 101316

2946-73-8

Structural Information

Molecular Formula
C9H5F6NO
SMILES
C1=CC(=CC(=C1)NC(=O)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H5F6NO/c10-8(11,12)5-2-1-3-6(4-5)16-7(17)9(13,14)15/h1-4H,(H,16,17)
InChIKey
YSZXBKBYXXJXMS-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

55
Patents

257.02753 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.034806 146.5
[M+Na]+ 280.016748 155.4
[M-H]- 256.020254 142.9
[M+NH4]+ 275.061353 163.0
[M+K]+ 295.990688 152.1
[M+H-H2O]+ 240.024790 136.1
[M+HCOO]- 302.025731 161.9
[M+CH3COO]- 316.041381 195.0
[M+Na-2H]- 278.002196 150.9
[M]+ 257.02698142 137.4
[M]- 257.02807858 137.4
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