CID 22002888

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotridecane

Structural Information

Molecular Formula
C13H11F17
SMILES
CCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H11F17/c1-2-3-4-5-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2-5H2,1H3
InChIKey
PQJWUGAPAMCURJ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

55
Patents

490.05893 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.06621 171.9
[M+Na]+ 513.04815 177.7
[M-H]- 489.05165 175.8
[M+NH4]+ 508.09275 179.8
[M+K]+ 529.02209 186.3
[M+H-H2O]+ 473.05619 161.3
[M+HCOO]- 535.05713 191.8
[M+CH3COO]- 549.07278 238.8
[M+Na-2H]- 511.03360 170.5
[M]+ 490.05838 171.0
[M]- 490.05948 171.0
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