CID 17837197

1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C11H7F7O
SMILES
CC(=O)C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C11H7F7O/c1-6(19)7-2-4-8(5-3-7)9(12,10(13,14)15)11(16,17)18/h2-5H,1H3
InChIKey
HJVLSXWSPYGSIV-UHFFFAOYSA-N
Compound name
1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

288.0385 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04578 153.8
[M+Na]+ 311.02772 163.1
[M-H]- 287.03122 148.9
[M+NH4]+ 306.07232 169.3
[M+K]+ 327.00166 159.5
[M+H-H2O]+ 271.03576 143.1
[M+HCOO]- 333.03670 164.8
[M+CH3COO]- 347.05235 200.3
[M+Na-2H]- 309.01317 157.2
[M]+ 288.03795 144.2
[M]- 288.03905 144.2
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

patents stripe