CID 119030901

3-(benzyloxy)-1,1,1-trifluorobutan-2-one

Structural Information

Molecular Formula
C11H11F3O2
SMILES
CC(C(=O)C(F)(F)F)OCC1=CC=CC=C1
InChI
InChI=1S/C11H11F3O2/c1-8(10(15)11(12,13)14)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey
RPGNAVCEQVDRDC-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-3-phenylmethoxybutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07112 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07840 146.9
[M+Na]+ 255.06034 153.8
[M-H]- 231.06384 146.4
[M+NH4]+ 250.10494 164.5
[M+K]+ 271.03428 151.9
[M+H-H2O]+ 215.06838 138.5
[M+HCOO]- 277.06932 164.7
[M+CH3COO]- 291.08497 190.1
[M+Na-2H]- 253.04579 150.4
[M]+ 232.07057 144.3
[M]- 232.07167 144.3
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.