CID 2776251

77893-60-8

Structural Information

Molecular Formula
C9H5F13O
SMILES
CC(=O)CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H5F13O/c1-3(23)2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2H2,1H3
InChIKey
RRFHTSQSIQEIHY-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

376.01328 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.02056 168.6
[M+Na]+ 399.00250 177.6
[M-H]- 375.00600 154.7
[M+NH4]+ 394.04710 158.9
[M+K]+ 414.97644 174.7
[M+H-H2O]+ 359.01054 155.4
[M+HCOO]- 421.01148 170.9
[M+CH3COO]- 435.02713 218.0
[M+Na-2H]- 396.98795 170.9
[M]+ 376.01273 149.1
[M]- 376.01383 149.1
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

No patent data available for this compound.