CID 139597396

N:1:2 ftbs n=7

Structural Information

Molecular Formula
C22H14F32NO2
SMILES
C[N+](C)(CCC(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)CC(=O)O
InChI
InChI=1S/C22H13F32NO2/c1-55(2,5-7(56)57)4-3-6(23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)16(40,41)17(42,43)18(44,45)19(46,47)20(48,49)21(50,51)22(52,53)54/h6H,3-5H2,1-2H3/p+1
InChIKey
UXCUDTASSLFSGD-UHFFFAOYSA-O
Compound name
carboxymethyl-(3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-dotriacontafluorooctadecyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

932.05133 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 933.05861 152.5
[M+Na]+ 955.04055 152.5
[M+NH4]+ 950.08515 152.5
[M+K]+ 971.01449 152.5
[M-H]- 931.04405 152.5
[M+Na-2H]- 953.02600 152.5
[M]+ 932.05078 152.5
[M]- 932.05188 152.5
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

No patent data available for this compound.