CID 169376

31841-41-5

Structural Information

Molecular Formula
C15H17F17NO2
SMILES
C[N+](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)(CCO)CCO
InChI
InChI=1S/C15H17F17NO2/c1-33(4-6-34,5-7-35)3-2-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h34-35H,2-7H2,1H3/q+1
InChIKey
RWLNANRAXMBRET-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-bis(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

566.09875 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.10603 198.9
[M+Na]+ 589.08797 202.1
[M-H]- 565.09147 207.1
[M+NH4]+ 584.13257 205.6
[M+K]+ 605.06191 210.1
[M+H-H2O]+ 549.09601 181.2
[M+HCOO]- 611.09695 217.9
[M+CH3COO]- 625.11260 243.0
[M+Na-2H]- 587.07342 193.9
[M]+ 566.09820 194.5
[M]- 566.09930 194.5
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.