CID 9934226

Decane, 1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluoro-

Structural Information

Molecular Formula
C10H4F18
SMILES
C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H4F18/c11-3(12,5(15,16)7(19,20)9(23,24)25)1-2-4(13,14)6(17,18)8(21,22)10(26,27)28/h1-2H2
InChIKey
XYTVKPCMDPOOFB-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

466.00256 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.00984 161.7
[M+Na]+ 488.99178 167.9
[M-H]- 464.99528 166.4
[M+NH4]+ 484.03638 169.7
[M+K]+ 504.96572 175.7
[M+H-H2O]+ 448.99982 176.9
[M+HCOO]- 511.00076 182.4
[M+CH3COO]- 525.01641 233.3
[M+Na-2H]- 486.97723 194.3
[M]+ 466.00201 160.3
[M]- 466.00311 160.3
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

patents stripe