CID 9909702

Ethyl perfluoroheptyl ether

Structural Information

Molecular Formula
C9H5F15O
SMILES
CCOC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H5F15O/c1-2-25-9(23,24)7(18,19)5(14,15)3(10,11)4(12,13)6(16,17)8(20,21)22/h2H2,1H3
InChIKey
JUJZWHMPQZSWKH-UHFFFAOYSA-N
Compound name
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

414.0101 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.01738 179.5
[M+Na]+ 436.99932 188.7
[M-H]- 413.00282 157.5
[M+NH4]+ 432.04392 161.3
[M+K]+ 452.97326 185.8
[M+H-H2O]+ 397.00736 165.0
[M+HCOO]- 459.00830 175.2
[M+CH3COO]- 473.02395 224.5
[M+Na-2H]- 434.98477 182.4
[M]+ 414.00955 153.5
[M]- 414.01065 153.5
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

patents stripe