CID 715690

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

Structural Information

Molecular Formula
C10H5F3O2
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C(F)(F)F
InChI
InChI=1S/C10H5F3O2/c11-10(12,13)9-5-7(14)6-3-1-2-4-8(6)15-9/h1-5H
InChIKey
ABPAKMJTQTVEDR-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

214.02417 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03145 137.0
[M+Na]+ 237.01339 148.4
[M-H]- 213.01689 139.3
[M+NH4]+ 232.05799 155.9
[M+K]+ 252.98733 146.1
[M+H-H2O]+ 197.02143 129.1
[M+HCOO]- 259.02237 156.1
[M+CH3COO]- 273.03802 185.3
[M+Na-2H]- 234.99884 146.3
[M]+ 214.02362 135.7
[M]- 214.02472 135.7
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