CID 71343175

140160-19-6

Structural Information

Molecular Formula
C11H11F7NO
SMILES
CC1=[N+](C=CC(=C1)OCC(C(C(F)(F)F)(F)F)(F)F)C
InChI
InChI=1S/C11H11F7NO/c1-7-5-8(3-4-19(7)2)20-6-9(12,13)10(14,15)11(16,17)18/h3-5H,6H2,1-2H3/q+1
InChIKey
UMCBPDSMHKKJON-UHFFFAOYSA-N
Compound name
4-(2,2,3,3,4,4,4-heptafluorobutoxy)-1,2-dimethylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

306.07288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08016 159.6
[M+Na]+ 329.06210 169.6
[M-H]- 305.06560 153.9
[M+NH4]+ 324.10670 173.2
[M+K]+ 345.03604 160.7
[M+H-H2O]+ 289.07014 150.7
[M+HCOO]- 351.07108 169.8
[M+CH3COO]- 365.08673 198.3
[M+Na-2H]- 327.04755 166.4
[M]+ 306.07233 150.9
[M]- 306.07343 150.9
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.