CID 5274075

2-hydroxy-5-methoxy-n-[4-(trifluoromethyl)phenyl]benzamide

Structural Information

Molecular Formula
C15H12F3NO3
SMILES
COC1=CC(=C(C=C1)O)C(=O)NC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C15H12F3NO3/c1-22-11-6-7-13(20)12(8-11)14(21)19-10-4-2-9(3-5-10)15(16,17)18/h2-8,20H,1H3,(H,19,21)
InChIKey
GRHNRAWLWVXAKP-UHFFFAOYSA-N
Compound name
2-hydroxy-5-methoxy-N-[4-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

311.07693 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08421 166.2
[M+Na]+ 334.06615 174.4
[M-H]- 310.06965 168.3
[M+NH4]+ 329.11075 180.0
[M+K]+ 350.04009 170.2
[M+H-H2O]+ 294.07419 156.4
[M+HCOO]- 356.07513 184.8
[M+CH3COO]- 370.09078 204.4
[M+Na-2H]- 332.05160 169.3
[M]+ 311.07638 163.2
[M]- 311.07748 163.2
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