CID 22002922

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

Structural Information

Molecular Formula
C13H7F21
SMILES
CCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H7F21/c1-2-3-4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h2-3H2,1H3
InChIKey
MFZHQYSRBOWRKF-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-henicosafluorotridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

562.02124 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.02852 179.1
[M+Na]+ 585.01046 183.9
[M-H]- 561.01396 186.3
[M+NH4]+ 580.05506 188.9
[M+K]+ 600.98440 195.4
[M+H-H2O]+ 545.01850 167.0
[M+HCOO]- 607.01944 198.6
[M+CH3COO]- 621.03509 248.6
[M+Na-2H]- 582.99591 179.3
[M]+ 562.02069 178.0
[M]- 562.02179 178.0
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