CID 156600033

Ns00114932

Structural Information

Molecular Formula
C19H25F17N
SMILES
CCC[N+](CCC)(CCC)CCC(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/C19H25F17N/c1-4-8-37(9-5-2,10-6-3)11-7-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h4-11H2,1-3H3/q+1
InChIKey
LPLOEEPYBVCXIX-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.1716 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.17888 217.6
[M+Na]+ 613.16082 222.6
[M-H]- 589.16432 224.2
[M+NH4]+ 608.20542 226.7
[M+K]+ 629.13476 231.9
[M+H-H2O]+ 573.16886 201.1
[M+HCOO]- 635.16980 238.0
[M+CH3COO]- 649.18545 254.1
[M+Na-2H]- 611.14627 212.2
[M]+ 590.17105 214.9
[M]- 590.17215 214.9
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

No patent data available for this compound.