CID 4671261

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-n-(propan-2-yl)nonanamide

Structural Information

Molecular Formula
C12H8F17NO
SMILES
CC(C)NC(=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/C12H8F17NO/c1-3(2)30-4(31)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h3H,1-2H3,(H,30,31)
InChIKey
BVQXSASJCAZAJV-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-propan-2-ylnonanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

505.03345 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.04073 174.6
[M+Na]+ 528.02267 182.2
[M-H]- 504.02617 184.6
[M+NH4]+ 523.06727 185.3
[M+K]+ 543.99661 190.2
[M+H-H2O]+ 488.03071 164.4
[M+HCOO]- 550.03165 190.0
[M+CH3COO]- 564.04730 241.5
[M+Na-2H]- 526.00812 174.2
[M]+ 505.03290 171.3
[M]- 505.03400 171.3
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.