CID 2737534

1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
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 135.5
[M+Na]+ 229.02470 145.6
[M-H]- 205.02820 134.7
[M+NH4]+ 224.06930 154.8
[M+K]+ 244.99864 142.8
[M+H-H2O]+ 189.03274 127.2
[M+HCOO]- 251.03368 153.7
[M+CH3COO]- 265.04933 186.4
[M+Na-2H]- 227.01015 139.5
[M]+ 206.03493 130.9
[M]- 206.03603 130.9
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