CID 154828520

1187887-77-9

Structural Information

Molecular Formula
C9H4F9N
SMILES
C1=C(C=C(C(=C1F)N)F)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C9H4F9N/c10-4-1-3(2-5(11)6(4)19)7(12,8(13,14)15)9(16,17)18/h1-2H,19H2
InChIKey
BILFPHCUPOOMNC-UHFFFAOYSA-N
Compound name
2,6-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.02 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.02728 180.1
[M+Na]+ 320.00922 182.1
[M+NH4]+ 315.05382 180.2
[M+K]+ 335.98316 179.1
[M-H]- 296.01272 173.4
[M+Na-2H]- 317.99467 178.6
[M]+ 297.01945 178.2
[M]- 297.02055 178.2
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.