CID 497306

2-[4,4,5,5,6,6,6-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)hexanoyl]oxyethyl-trimethyl-ammonium

Structural Information

Molecular Formula
C14H16F14NO2
SMILES
C[N+](C)(C)CCOC(=O)C(CC(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H16F14NO2/c1-29(2,3)4-5-31-8(30)7(10(17,18)12(21,22)14(26,27)28)6-9(15,16)11(19,20)13(23,24)25/h7H,4-6H2,1-3H3/q+1
InChIKey
PABVLQZYZVHALF-UHFFFAOYSA-N
Compound name
2-[4,4,5,5,6,6,6-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)hexanoyl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.09573 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.10301 195.0
[M+Na]+ 519.08495 202.4
[M-H]- 495.08845 204.2
[M+NH4]+ 514.12955 206.4
[M+K]+ 535.05889 207.3
[M+H-H2O]+ 479.09299 182.4
[M+HCOO]- 541.09393 213.7
[M+CH3COO]- 555.10958 235.7
[M+Na-2H]- 517.07040 191.6
[M]+ 496.09518 192.0
[M]- 496.09628 192.0
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

No patent data available for this compound.