CID 130787026

1803739-45-8

Structural Information

Molecular Formula
C9H6F4O2
SMILES
CC(=O)C1=C(C=CC=C1F)OC(F)(F)F
InChI
InChI=1S/C9H6F4O2/c1-5(14)8-6(10)3-2-4-7(8)15-9(11,12)13/h2-4H,1H3
InChIKey
PURBCQJFEIKLNN-UHFFFAOYSA-N
Compound name
1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0304 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03768 153.2
[M+Na]+ 245.01962 161.2
[M+NH4]+ 240.06422 157.4
[M+K]+ 260.99356 156.6
[M-H]- 221.02312 148.4
[M+Na-2H]- 243.00507 155.7
[M]+ 222.02985 152.6
[M]- 222.03095 152.6
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

No patent data available for this compound.