CID 3946398

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-n-methylnonanamide

Structural Information

Molecular Formula
C10H4F17NO
SMILES
CNC(=O)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
InChI
InChI=1S/C10H4F17NO/c1-28-2(29)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H3,(H,28,29)
InChIKey
QBUQLOZQYAJDBN-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methylnonanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

477.00214 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.00942 164.9
[M+Na]+ 499.99136 172.4
[M-H]- 475.99486 174.2
[M+NH4]+ 495.03596 174.4
[M+K]+ 515.96530 179.3
[M+H-H2O]+ 459.99940 154.5
[M+HCOO]- 522.00034 183.0
[M+CH3COO]- 536.01599 236.0
[M+Na-2H]- 497.97681 165.1
[M]+ 477.00159 161.9
[M]- 477.00269 161.9
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.