CID 138396365

N-[4-(dimethylamino)butyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide

Structural Information

Molecular Formula
C14H15F15N2O
SMILES
CN(C)CCCCNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H15F15N2O/c1-31(2)6-4-3-5-30-7(32)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h3-6H2,1-2H3,(H,30,32)
InChIKey
XGOMMFOXIOYADC-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)butyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

512.0945 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.10178 183.4
[M+Na]+ 535.08372 192.8
[M-H]- 511.08722 193.2
[M+NH4]+ 530.12832 194.0
[M+K]+ 551.05766 199.0
[M+H-H2O]+ 495.09176 174.1
[M+HCOO]- 557.09270 197.6
[M+CH3COO]- 571.10835 247.8
[M+Na-2H]- 533.06917 181.6
[M]+ 512.09395 178.7
[M]- 512.09505 178.7
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.