CID 139595413

N:2 ftacr n=14

Structural Information

Molecular Formula
C21H11F29O2
SMILES
CC(=C)CC(=O)OCCC(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
InChI
InChI=1S/C21H11F29O2/c1-6(2)5-7(51)52-4-3-8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)14(34,35)15(36,37)16(38,39)17(40,41)18(42,43)19(44,45)20(46,47)21(48,49)50/h1,3-5H2,2H3
InChIKey
IKUMTFVHNDFOQB-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl 3-methylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

846.0296 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 847.03688 229.5
[M+Na]+ 869.01882 232.3
[M-H]- 845.02232 243.0
[M+NH4]+ 864.06342 243.9
[M+K]+ 884.99276 248.7
[M+H-H2O]+ 829.02686 216.3
[M+HCOO]- 891.02780 242.5
[M+CH3COO]- 905.04345 275.6
[M+Na-2H]- 867.00427 230.1
[M]+ 846.02905 227.4
[M]- 846.03015 227.4
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.