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
2
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]+ 933.058606 257.1
[M+Na]+ 955.040548 258.6
[M-H]- 931.044054 272.5
[M+NH4]+ 950.085153 270.1
[M+K]+ 971.014488 274.1
[M+H-H2O]+ 915.048590 240.8
[M+HCOO]- 977.049531 269.0
[M+CH3COO]- 991.065181 277.1
[M+Na-2H]- 953.025996 256.6
[M]+ 932.05078142 252.0
[M]- 932.05187858 252.0
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.