CID 5393147

82747-36-2

Structural Information

Molecular Formula
C10H5F3O4
SMILES
C1=C2C(=CC(=O)OC2=CC(=C1O)O)C(F)(F)F
InChI
InChI=1S/C10H5F3O4/c11-10(12,13)5-2-9(16)17-8-3-7(15)6(14)1-4(5)8/h1-3,14-15H
InChIKey
BDMVLEVZUIZPRG-UHFFFAOYSA-N
Compound name
6,7-dihydroxy-4-(trifluoromethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

246.01399 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.02127 144.0
[M+Na]+ 269.00321 156.0
[M-H]- 245.00671 144.2
[M+NH4]+ 264.04781 160.5
[M+K]+ 284.97715 153.2
[M+H-H2O]+ 229.01125 136.5
[M+HCOO]- 291.01219 160.4
[M+CH3COO]- 305.02784 187.1
[M+Na-2H]- 266.98866 151.2
[M]+ 246.01344 142.7
[M]- 246.01454 142.7
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