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 154.3
[M+Na]+ 320.00922 165.4
[M-H]- 296.01272 147.2
[M+NH4]+ 315.05382 169.2
[M+K]+ 335.98316 160.7
[M+H-H2O]+ 280.01726 142.2
[M+HCOO]- 342.01820 164.5
[M+CH3COO]- 356.03385 205.0
[M+Na-2H]- 317.99467 156.3
[M]+ 297.01945 140.0
[M]- 297.02055 140.0
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

No patent data available for this compound.