CID 101920118

17:2 fluorotelomer alcohol

Structural Information

Molecular Formula
C19H5F35O
SMILES
C(CO)C(C(C(C(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C19H5F35O/c20-3(21,1-2-55)4(22,23)5(24,25)6(26,27)7(28,29)8(30,31)9(32,33)10(34,35)11(36,37)12(38,39)13(40,41)14(42,43)15(44,45)16(46,47)17(48,49)18(50,51)19(52,53)54/h55H,1-2H2
InChIKey
MYSZJHGOXPIEFY-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-pentatriacontafluorononadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

913.97815 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 914.98543 227.3
[M+Na]+ 936.96737 228.3
[M-H]- 912.97087 239.3
[M+NH4]+ 932.01197 238.0
[M+K]+ 952.94131 244.2
[M+H-H2O]+ 896.97541 214.1
[M+HCOO]- 958.97635 240.6
[M+CH3COO]- 972.99200 274.1
[M+Na-2H]- 934.95282 230.4
[M]+ 913.97760 223.0
[M]- 913.97870 223.0
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.