CID 28391880

3-hydroxy-4-methyl-n-[3-(trifluoromethyl)phenyl]benzamide

Structural Information

Molecular Formula
C15H12F3NO2
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)O
InChI
InChI=1S/C15H12F3NO2/c1-9-5-6-10(7-13(9)20)14(21)19-12-4-2-3-11(8-12)15(16,17)18/h2-8,20H,1H3,(H,19,21)
InChIKey
GIHYBCOTAXOHGZ-UHFFFAOYSA-N
Compound name
3-hydroxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

295.082 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08928 163.1
[M+Na]+ 318.07122 171.4
[M-H]- 294.07472 165.2
[M+NH4]+ 313.11582 177.7
[M+K]+ 334.04516 166.6
[M+H-H2O]+ 278.07926 153.6
[M+HCOO]- 340.08020 181.5
[M+CH3COO]- 354.09585 202.3
[M+Na-2H]- 316.05667 166.1
[M]+ 295.08145 158.6
[M]- 295.08255 158.6
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