CID 10477896

133331-77-8

Structural Information

Molecular Formula
C14H17F13
SMILES
CCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H17F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-8H2,1H3
InChIKey
WRYIIOKOQSICTB-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

93
References

513
Patents

432.11227 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.11955 191.9
[M+Na]+ 455.10149 199.1
[M-H]- 431.10499 169.5
[M+NH4]+ 450.14609 175.4
[M+K]+ 471.07543 194.6
[M+H-H2O]+ 415.10953 177.6
[M+HCOO]- 477.11047 189.5
[M+CH3COO]- 491.12612 230.2
[M+Na-2H]- 453.08694 192.2
[M]+ 432.11172 174.0
[M]- 432.11282 174.0
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