CID 5506374

7-hydroxy-3-(1-phenyl-1h-pyrazol-4-yl)-2-(trifluoromethyl)-4h-chromen-4-one

Structural Information

Molecular Formula
C19H11F3N2O3
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)C3=C(OC4=C(C3=O)C=CC(=C4)O)C(F)(F)F
InChI
InChI=1S/C19H11F3N2O3/c20-19(21,22)18-16(17(26)14-7-6-13(25)8-15(14)27-18)11-9-23-24(10-11)12-4-2-1-3-5-12/h1-10,25H
InChIKey
LIRNOHXQFVXONV-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.07217 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07945 183.5
[M+Na]+ 395.06139 196.4
[M-H]- 371.06489 189.0
[M+NH4]+ 390.10599 193.9
[M+K]+ 411.03533 190.2
[M+H-H2O]+ 355.06943 171.8
[M+HCOO]- 417.07037 200.0
[M+CH3COO]- 431.08602 194.3
[M+Na-2H]- 393.04684 187.7
[M]+ 372.07162 184.3
[M]- 372.07272 184.3
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

No patent data available for this compound.