CID 43159971

3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-one

Structural Information

Molecular Formula
C9H6F4O
SMILES
C1=CC(=CC=C1C(=O)CC(F)(F)F)F
InChI
InChI=1S/C9H6F4O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4H,5H2
InChIKey
FWDLSJLKYUHRED-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

206.03548 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04276 136.4
[M+Na]+ 229.02470 145.5
[M-H]- 205.02820 135.2
[M+NH4]+ 224.06930 155.4
[M+K]+ 244.99864 142.7
[M+H-H2O]+ 189.03274 127.8
[M+HCOO]- 251.03368 154.5
[M+CH3COO]- 265.04933 185.3
[M+Na-2H]- 227.01015 141.0
[M]+ 206.03493 131.4
[M]- 206.03603 131.4
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