CID 162396603

Dtxsid501032744

Structural Information

Molecular Formula
C13H16F13N2O
SMILES
C[N+](C)(C)CCCNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H15F13N2O/c1-28(2,3)6-4-5-27-7(29)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h4-6H2,1-3H3/p+1
InChIKey
RWUSHKVXDKZATO-UHFFFAOYSA-O
Compound name
trimethyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.1055 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.11278 193.1
[M+Na]+ 486.09472 201.5
[M-H]- 462.09822 202.5
[M+NH4]+ 481.13932 201.6
[M+K]+ 502.06866 204.4
[M+H-H2O]+ 446.10276 178.9
[M+HCOO]- 508.10370 212.8
[M+CH3COO]- 522.11935 233.2
[M+Na-2H]- 484.08017 189.3
[M]+ 463.10495 188.8
[M]- 463.10605 188.8
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.