CID 163198790

Vcwmbpucyneton-uhfffaoysa-n

Structural Information

Molecular Formula
C10H4F15NO2
SMILES
C(C=O)NC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H4F15NO2/c11-4(12,3(28)26-1-2-27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H,1H2,(H,26,28)
InChIKey
VCWMBPUCYNETON-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-oxoethyl)octanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

455.00024 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.00752 160.7
[M+Na]+ 477.98946 168.8
[M-H]- 453.99296 169.4
[M+NH4]+ 473.03406 170.0
[M+K]+ 493.96340 173.6
[M+H-H2O]+ 437.99750 151.5
[M+HCOO]- 499.99844 179.4
[M+CH3COO]- 514.01409 231.1
[M+Na-2H]- 475.97491 160.4
[M]+ 454.99969 157.6
[M]- 455.00079 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.