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

1
Patents

329.04303 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.05031 167.7
[M+Na]+ 352.03225 175.7
[M-H]- 328.03575 169.3
[M+NH4]+ 347.07685 181.4
[M+K]+ 368.00619 169.5
[M+H-H2O]+ 312.04029 158.9
[M+HCOO]- 374.04123 180.7
[M+CH3COO]- 388.05688 205.6
[M+Na-2H]- 350.01770 170.0
[M]+ 329.04248 164.8
[M]- 329.04358 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