CID 2733404

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol

Structural Information

Molecular Formula
C10H6F16O2
SMILES
C(C(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C10H6F16O2/c11-3(12,1-27)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2-28/h27-28H,1-2H2
InChIKey
NSKCTPBWPZPFHW-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

530
Patents

462.01123 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.01851 157.3
[M+Na]+ 485.00045 161.1
[M-H]- 461.00395 162.6
[M+NH4]+ 480.04505 162.8
[M+K]+ 500.97439 168.5
[M+H-H2O]+ 445.00849 145.3
[M+HCOO]- 507.00943 175.8
[M+CH3COO]- 521.02508 228.1
[M+Na-2H]- 482.98590 155.5
[M]+ 462.01068 155.4
[M]- 462.01178 155.4
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