CID 165884898

1-[3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl]ethan-1-one

Structural Information

Molecular Formula
C8H9F3O
SMILES
CC(=O)C12CC(C1)(C2)C(F)(F)F
InChI
InChI=1S/C8H9F3O/c1-5(12)6-2-7(3-6,4-6)8(9,10)11/h2-4H2,1H3
InChIKey
NQXKSHQVHWENBJ-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.06055 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06783 159.7
[M+Na]+ 201.04977 164.8
[M-H]- 177.05327 160.5
[M+NH4]+ 196.09437 166.0
[M+K]+ 217.02371 169.5
[M+H-H2O]+ 161.05781 146.4
[M+HCOO]- 223.05875 169.0
[M+CH3COO]- 237.07440 209.0
[M+Na-2H]- 199.03522 164.7
[M]+ 178.06000 181.2
[M]- 178.06110 181.2
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.