CID 71378873

647-60-9

Structural Information

Molecular Formula
C12H7F9O
SMILES
CC1=CC=C(C=C1)C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H7F9O/c1-6-2-4-7(5-3-6)8(22)9(13,14)10(15,16)11(17,18)12(19,20)21/h2-5H,1H3
InChIKey
VGUUXTQDEISKCQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-methylphenyl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

338.0353 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.04258 164.0
[M+Na]+ 361.02452 173.3
[M-H]- 337.02802 156.8
[M+NH4]+ 356.06912 177.1
[M+K]+ 376.99846 169.2
[M+H-H2O]+ 321.03256 151.8
[M+HCOO]- 383.03350 170.9
[M+CH3COO]- 397.04915 210.3
[M+Na-2H]- 359.00997 166.7
[M]+ 338.03475 151.3
[M]- 338.03585 151.3
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.