CID 83397475

4-hydroxy-8-(trifluoromethyl)-2h-chromen-2-one

Structural Information

Molecular Formula
C10H5F3O3
SMILES
C1=CC2=C(C(=C1)C(F)(F)F)OC(=O)C=C2O
InChI
InChI=1S/C10H5F3O3/c11-10(12,13)6-3-1-2-5-7(14)4-8(15)16-9(5)6/h1-4,14H
InChIKey
BNHQMTCBDBDLTG-UHFFFAOYSA-N
Compound name
4-hydroxy-8-(trifluoromethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.01907 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.