CID 155819582

1-chloro-3-[2-(trifluoromethyl)phenyl]propan-2-one

Structural Information

Molecular Formula
C10H8ClF3O
SMILES
C1=CC=C(C(=C1)CC(=O)CCl)C(F)(F)F
InChI
InChI=1S/C10H8ClF3O/c11-6-8(15)5-7-3-1-2-4-9(7)10(12,13)14/h1-4H,5-6H2
InChIKey
YWWKERNCOXNURK-UHFFFAOYSA-N
Compound name
1-chloro-3-[2-(trifluoromethyl)phenyl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.02158 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.028856 143.1
[M+Na]+ 259.010798 152.5
[M-H]- 235.014304 142.9
[M+NH4]+ 254.055403 161.9
[M+K]+ 274.984738 147.8
[M+H-H2O]+ 219.018840 136.0
[M+HCOO]- 281.019781 157.5
[M+CH3COO]- 295.035431 189.2
[M+Na-2H]- 256.996246 147.4
[M]+ 236.02103142 141.9
[M]- 236.02212858 141.9
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.