CID 605676

207986-23-0

Structural Information

Molecular Formula
C10H8F4O
SMILES
CCC(=O)C1=C(C(=CC=C1)C(F)(F)F)F
InChI
InChI=1S/C10H8F4O/c1-2-8(15)6-4-3-5-7(9(6)11)10(12,13)14/h3-5H,2H2,1H3
InChIKey
GUQSGIYHKUPVTH-UHFFFAOYSA-N
Compound name
1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

220.05113 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05841 140.4
[M+Na]+ 243.04035 150.0
[M-H]- 219.04385 139.4
[M+NH4]+ 238.08495 159.1
[M+K]+ 259.01429 147.0
[M+H-H2O]+ 203.04839 131.9
[M+HCOO]- 265.04933 158.2
[M+CH3COO]- 279.06498 189.4
[M+Na-2H]- 241.02580 143.8
[M]+ 220.05058 136.1
[M]- 220.05168 136.1
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