CID 125505119

2,2,2-trifluoro-1-[4-(tridecafluorohexyl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C14H4F16O
SMILES
C1=CC(=CC=C1C(=O)C(F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H4F16O/c15-8(16,6-3-1-5(2-4-6)7(31)9(17,18)19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)30/h1-4H
InChIKey
LQZYLEQZOOPJPB-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

492.00067 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.00795 196.5
[M+Na]+ 514.98989 206.3
[M-H]- 490.99339 183.2
[M+NH4]+ 510.03449 202.9
[M+K]+ 530.96383 201.2
[M+H-H2O]+ 474.99793 180.0
[M+HCOO]- 536.99887 191.6
[M+CH3COO]- 551.01452 236.0
[M+Na-2H]- 512.97534 197.4
[M]+ 492.00012 172.5
[M]- 492.00122 172.5
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.