CID 9834155

3,3,3-trifluoro-1-phenylpropan-1-one

Structural Information

Molecular Formula
C9H7F3O
SMILES
C1=CC=C(C=C1)C(=O)CC(F)(F)F
InChI
InChI=1S/C9H7F3O/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
LBWMQVOHFPLVBY-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

591
Patents

188.0449 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05218 142.8
[M+Na]+ 211.03412 152.1
[M+NH4]+ 206.07872 148.8
[M+K]+ 227.00806 146.6
[M-H]- 187.03762 139.8
[M+Na-2H]- 209.01957 147.4
[M]+ 188.04435 143.0
[M]- 188.04545 143.0
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