CID 737161

1-(3-(trifluoromethoxy)phenyl)ethanone

Structural Information

Molecular Formula
C9H7F3O2
SMILES
CC(=O)C1=CC(=CC=C1)OC(F)(F)F
InChI
InChI=1S/C9H7F3O2/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-5H,1H3
InChIKey
UYHTUQHYGKAYJM-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

438
Patents

204.03981 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04709 136.7
[M+Na]+ 227.02903 145.8
[M-H]- 203.03253 136.9
[M+NH4]+ 222.07363 155.9
[M+K]+ 243.00297 143.9
[M+H-H2O]+ 187.03707 128.9
[M+HCOO]- 249.03801 156.2
[M+CH3COO]- 263.05366 184.4
[M+Na-2H]- 225.01448 142.0
[M]+ 204.03926 134.5
[M]- 204.04036 134.5
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