CID 13558297

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

236.02158 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.02886 143.1
[M+Na]+ 259.01080 152.5
[M-H]- 235.01430 142.9
[M+NH4]+ 254.05540 161.9
[M+K]+ 274.98474 147.8
[M+H-H2O]+ 219.01884 136.0
[M+HCOO]- 281.01978 157.5
[M+CH3COO]- 295.03543 189.2
[M+Na-2H]- 256.99625 147.4
[M]+ 236.02103 141.9
[M]- 236.02213 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

patents stripe