CID 138394395

N:3 ftbs n=5

Structural Information

Molecular Formula
C18H15F23NO2
SMILES
C[N+](C)(CCCC(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)CC(=O)O
InChI
InChI=1S/C18H14F23NO2/c1-42(2,6-7(43)44)5-3-4-8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)41/h3-6H2,1-2H3/p+1
InChIKey
HKFRVYTXFSKFKY-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tricosafluorotetradecyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

714.07355 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 715.08083 223.8
[M+Na]+ 737.06277 226.8
[M-H]- 713.06627 237.1
[M+NH4]+ 732.10737 235.8
[M+K]+ 753.03671 239.6
[M+H-H2O]+ 697.07081 206.0
[M+HCOO]- 759.07175 240.6
[M+CH3COO]- 773.08740 262.9
[M+Na-2H]- 735.04822 221.1
[M]+ 714.07300 220.3
[M]- 714.07410 220.3
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.