CID 10951638

80791-09-9

Structural Information

Molecular Formula
C16H10F17N
SMILES
CN(C)C1=CC=C(C=C1)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/C16H10F17N/c1-34(2)8-5-3-7(4-6-8)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h3-6H,1-2H3
InChIKey
CSDRFIOFQKNRSL-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

539.0542 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.06148 162.0
[M+Na]+ 562.04342 162.1
[M+NH4]+ 557.08802 161.8
[M+K]+ 578.01736 162.4
[M-H]- 538.04692 160.7
[M+Na-2H]- 560.02887 162.4
[M]+ 539.05365 161.6
[M]- 539.05475 161.6
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

patents stripe