CID 145568

122023-29-4

Structural Information

Molecular Formula
C9H6F4O
SMILES
CC(=O)C1=C(C=C(C=C1)C(F)(F)F)F
InChI
InChI=1S/C9H6F4O/c1-5(14)7-3-2-6(4-8(7)10)9(11,12)13/h2-4H,1H3
InChIKey
OLDXVWXLMGJVPH-UHFFFAOYSA-N
Compound name
1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

206.03548 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04276 150.6
[M+Na]+ 229.02470 159.0
[M+NH4]+ 224.06930 155.3
[M+K]+ 244.99864 154.0
[M-H]- 205.02820 146.3
[M+Na-2H]- 227.01015 153.5
[M]+ 206.03493 150.3
[M]- 206.03603 150.3
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

patents stripe