CID 12174987

150969-56-5

Structural Information

Molecular Formula
C10H7F3O
SMILES
C1CC(=O)C2=C1C=C(C=C2)C(F)(F)F
InChI
InChI=1S/C10H7F3O/c11-10(12,13)7-2-3-8-6(5-7)1-4-9(8)14/h2-3,5H,1,4H2
InChIKey
AHSXMYSALCGWSP-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

200.0449 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05218 145.2
[M+Na]+ 223.03412 154.3
[M+NH4]+ 218.07872 151.9
[M+K]+ 239.00806 150.0
[M-H]- 199.03762 142.4
[M+Na-2H]- 221.01957 148.3
[M]+ 200.04435 145.4
[M]- 200.04545 145.4
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