CID 135461982

Way-169916

Structural Information

Molecular Formula
C17H13F3N2O2
SMILES
C=CCN1C2=C(C=CC=C2C(F)(F)F)C(=N1)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C17H13F3N2O2/c1-2-8-22-16-12(4-3-5-13(16)17(18,19)20)15(21-22)11-7-6-10(23)9-14(11)24/h2-7,9,23-24H,1,8H2
InChIKey
ZDUDMCQPFKPISO-UHFFFAOYSA-N
Compound name
4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

40
Patents

334.09293 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10021 177.6
[M+Na]+ 357.08215 188.6
[M+NH4]+ 352.12675 181.7
[M+K]+ 373.05609 184.3
[M-H]- 333.08565 174.9
[M+Na-2H]- 355.06760 181.3
[M]+ 334.09238 178.1
[M]- 334.09348 178.1
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