CID 3058190

4-chloro-n-(4-(1-hydroxy-2,2,2-trifluoroethyl)phenyl)benzamide

Structural Information

Molecular Formula
C15H11ClF3NO2
SMILES
C1=CC(=CC=C1C(C(F)(F)F)O)NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H11ClF3NO2/c16-11-5-1-10(2-6-11)14(22)20-12-7-3-9(4-8-12)13(21)15(17,18)19/h1-8,13,21H,(H,20,22)
InChIKey
CFCPLHYAAFJFMO-UHFFFAOYSA-N
Compound name
4-chloro-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

329.04303 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.050306 167.7
[M+Na]+ 352.032248 175.7
[M-H]- 328.035754 169.3
[M+NH4]+ 347.076853 181.4
[M+K]+ 368.006188 169.5
[M+H-H2O]+ 312.040290 158.9
[M+HCOO]- 374.041231 180.7
[M+CH3COO]- 388.056881 205.6
[M+Na-2H]- 350.017696 170.0
[M]+ 329.04248142 164.8
[M]- 329.04357858 164.8
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