CID 5127442

N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide

Structural Information

Molecular Formula
C13H10F17NO
SMILES
CCCCNC(=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/C13H10F17NO/c1-2-3-4-31-5(32)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2-4H2,1H3,(H,31,32)
InChIKey
UIDMHGBETJKWEZ-UHFFFAOYSA-N
Compound name
N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

519.0491 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.05638 176.0
[M+Na]+ 542.03832 183.0
[M-H]- 518.04182 184.3
[M+NH4]+ 537.08292 185.3
[M+K]+ 558.01226 190.9
[M+H-H2O]+ 502.04636 165.1
[M+HCOO]- 564.04730 193.0
[M+CH3COO]- 578.06295 243.4
[M+Na-2H]- 540.02377 174.7
[M]+ 519.04855 172.6
[M]- 519.04965 172.6
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.