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
2
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 210.1
[M+Na]+ 562.04342 218.8
[M-H]- 538.04692 197.3
[M+NH4]+ 557.08802 186.3
[M+K]+ 578.01736 214.5
[M+H-H2O]+ 522.05146 192.6
[M+HCOO]- 584.05240 197.2
[M+CH3COO]- 598.06805 250.0
[M+Na-2H]- 560.02887 211.2
[M]+ 539.05365 185.0
[M]- 539.05475 185.0
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