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]+ 520.056376 176.0
[M+Na]+ 542.038318 183.0
[M-H]- 518.041824 184.3
[M+NH4]+ 537.082923 185.3
[M+K]+ 558.012258 190.9
[M+H-H2O]+ 502.046360 165.1
[M+HCOO]- 564.047301 193.0
[M+CH3COO]- 578.062951 243.4
[M+Na-2H]- 540.023766 174.7
[M]+ 519.04855142 172.6
[M]- 519.04964858 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.