CID 5375667

575-03-1

Structural Information

Molecular Formula
C10H5F3O3
SMILES
C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F
InChI
InChI=1S/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14H
InChIKey
CCKWMCUOHJAVOL-UHFFFAOYSA-N
Compound name
7-hydroxy-4-(trifluoromethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

938
Patents

230.01907 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02635 140.5
[M+Na]+ 253.00829 152.3
[M-H]- 229.01179 141.8
[M+NH4]+ 248.05289 158.3
[M+K]+ 268.98223 149.7
[M+H-H2O]+ 213.01633 132.8
[M+HCOO]- 275.01727 158.3
[M+CH3COO]- 289.03292 186.1
[M+Na-2H]- 250.99374 148.8
[M]+ 230.01852 139.2
[M]- 230.01962 139.2
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