CID 4991892

N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

Structural Information

Molecular Formula
C11H10F13NO
SMILES
CCCCNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H10F13NO/c1-2-3-4-25-5(26)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-4H2,1H3,(H,25,26)
InChIKey
GHDJJZIELAHLLV-UHFFFAOYSA-N
Compound name
N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

419.05548 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.06276 181.3
[M+Na]+ 442.04470 188.8
[M-H]- 418.04820 169.1
[M+NH4]+ 437.08930 170.9
[M+K]+ 458.01864 185.5
[M+H-H2O]+ 402.05274 167.4
[M+HCOO]- 464.05368 181.4
[M+CH3COO]- 478.06933 227.2
[M+Na-2H]- 440.03015 182.9
[M]+ 419.05493 160.8
[M]- 419.05603 160.8
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.