CID 21236550

2,2,3,3,4,4,4-heptafluoro-1-(4-methylphenyl)butan-1-one

Structural Information

Molecular Formula
C11H7F7O
SMILES
CC1=CC=C(C=C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H7F7O/c1-6-2-4-7(5-3-6)8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3
InChIKey
LAXSGZOZXFTLFG-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-1-(4-methylphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

288.0385 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.045776 153.6
[M+Na]+ 311.027718 162.9
[M-H]- 287.031224 148.8
[M+NH4]+ 306.072323 169.0
[M+K]+ 327.001658 159.2
[M+H-H2O]+ 271.035760 142.9
[M+HCOO]- 333.036701 164.6
[M+CH3COO]- 347.052351 201.0
[M+Na-2H]- 309.013166 157.0
[M]+ 288.03795142 144.1
[M]- 288.03904858 144.1
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