CID 3640837

207569-16-2

Structural Information

Molecular Formula
C12H15F9N4O3
SMILES
C(CN(CCNC(=O)C(F)(F)F)CCNC(=O)C(F)(F)F)NC(=O)C(F)(F)F
InChI
InChI=1S/C12H15F9N4O3/c13-10(14,15)7(26)22-1-4-25(5-2-23-8(27)11(16,17)18)6-3-24-9(28)12(19,20)21/h1-6H2,(H,22,26)(H,23,27)(H,24,28)
InChIKey
YFDXKLHAJTVRDJ-UHFFFAOYSA-N
Compound name
N-[2-[bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.10004 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.10732 184.8
[M+Na]+ 457.08926 199.7
[M-H]- 433.09276 197.1
[M+NH4]+ 452.13386 193.6
[M+K]+ 473.06320 187.5
[M+H-H2O]+ 417.09730 171.0
[M+HCOO]- 479.09824 191.5
[M+CH3COO]- 493.11389 236.1
[M+Na-2H]- 455.07471 183.9
[M]+ 434.09949 173.6
[M]- 434.10059 173.6
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.