CID 85828757

3-(1,1,2,3,3,3-hexafluoropropoxy)aniline

Structural Information

Molecular Formula
C9H7F6NO
SMILES
C1=CC(=CC(=C1)OC(C(C(F)(F)F)F)(F)F)N
InChI
InChI=1S/C9H7F6NO/c10-7(8(11,12)13)9(14,15)17-6-3-1-2-5(16)4-6/h1-4,7H,16H2
InChIKey
DDFHXPOWENLPQB-UHFFFAOYSA-N
Compound name
3-(1,1,2,3,3,3-hexafluoropropoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.04318 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05046 164.6
[M+Na]+ 282.03240 168.6
[M+NH4]+ 277.07700 166.6
[M+K]+ 298.00634 165.3
[M-H]- 258.03590 158.0
[M+Na-2H]- 280.01785 165.1
[M]+ 259.04263 162.9
[M]- 259.04373 162.9
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.