CID 83409939

1532864-35-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

222.0304 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.037676 138.9
[M+Na]+ 245.019618 148.9
[M-H]- 221.023124 138.1
[M+NH4]+ 240.064223 157.5
[M+K]+ 260.993558 146.6
[M+H-H2O]+ 205.027660 130.4
[M+HCOO]- 267.028601 157.3
[M+CH3COO]- 281.044251 188.4
[M+Na-2H]- 243.005066 142.9
[M]+ 222.02985142 135.8
[M]- 222.03094858 135.8
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