CID 14793273

1-(3-chloro-4-(trifluoromethoxy)phenyl)ethanone

Structural Information

Molecular Formula
C9H6ClF3O2
SMILES
CC(=O)C1=CC(=C(C=C1)OC(F)(F)F)Cl
InChI
InChI=1S/C9H6ClF3O2/c1-5(14)6-2-3-8(7(10)4-6)15-9(11,12)13/h2-4H,1H3
InChIKey
BUSQQCHYIYPNTO-UHFFFAOYSA-N
Compound name
1-[3-chloro-4-(trifluoromethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

238.00084 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00812 148.0
[M+Na]+ 260.99006 158.1
[M+NH4]+ 256.03466 153.7
[M+K]+ 276.96400 153.0
[M-H]- 236.99356 144.7
[M+Na-2H]- 258.97551 152.1
[M]+ 238.00029 148.5
[M]- 238.00139 148.5
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