CID 13507558

Dtxsid001034345

Structural Information

Molecular Formula
C15H17F17NO
SMILES
CC[N+](C)(CC)CC(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)O
InChI
InChI=1S/C15H17F17NO/c1-4-33(3,5-2)6-7(34)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/h7,34H,4-6H2,1-3H3/q+1
InChIKey
WFHSZQMFVVLQDJ-UHFFFAOYSA-N
Compound name
diethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-hydroxydecyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

550.1039 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.11118 203.1
[M+Na]+ 573.09312 207.9
[M-H]- 549.09662 212.4
[M+NH4]+ 568.13772 212.3
[M+K]+ 589.06706 216.3
[M+H-H2O]+ 533.10116 186.7
[M+HCOO]- 595.10210 221.4
[M+CH3COO]- 609.11775 244.1
[M+Na-2H]- 571.07857 199.1
[M]+ 550.10335 199.7
[M]- 550.10445 199.7
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.