CID 2776293

80793-21-1

Structural Information

Molecular Formula
C8H3F13O
SMILES
CC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H3F13O/c1-2(22)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H3
InChIKey
IWJCXMJWFQQWED-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

361.99762 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.00490 164.0
[M+Na]+ 384.98684 173.4
[M-H]- 360.99034 150.2
[M+NH4]+ 380.03144 155.1
[M+K]+ 400.96078 170.7
[M+H-H2O]+ 344.99488 151.0
[M+HCOO]- 406.99582 167.4
[M+CH3COO]- 421.01147 215.3
[M+Na-2H]- 382.97229 166.7
[M]+ 361.99707 144.1
[M]- 361.99817 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

literature stripe

Patent stripe

patents stripe