CID 120203

Perfluorodecane

Structural Information

Molecular Formula
C10F22
SMILES
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10F22/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32
InChIKey
BPHQIXJDBIHMLT-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

5577
Patents

537.96484 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.97212 169.3
[M+Na]+ 560.95406 174.5
[M-H]- 536.95756 177.1
[M+NH4]+ 555.99866 179.1
[M+K]+ 576.92800 185.1
[M+H-H2O]+ 520.96210 157.8
[M+HCOO]- 582.96304 189.5
[M+CH3COO]- 596.97869 243.6
[M+Na-2H]- 558.93951 171.0
[M]+ 537.96429 167.6
[M]- 537.96539 167.6
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