CID 71425309

4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)aniline

Structural Information

Molecular Formula
C12H10F9N
SMILES
C1=CC(=CC=C1CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C12H10F9N/c13-9(14,6-5-7-1-3-8(22)4-2-7)10(15,16)11(17,18)12(19,20)21/h1-4H,5-6,22H2
InChIKey
DXOPDXIZMCIDFV-UHFFFAOYSA-N
Compound name
4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

339.06696 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.07424 167.7
[M+Na]+ 362.05618 176.1
[M-H]- 338.05968 159.7
[M+NH4]+ 357.10078 180.3
[M+K]+ 378.03012 171.2
[M+H-H2O]+ 322.06422 155.0
[M+HCOO]- 384.06516 175.4
[M+CH3COO]- 398.08081 212.6
[M+Na-2H]- 360.04163 170.5
[M]+ 339.06641 153.2
[M]- 339.06751 153.2
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.