CID 15224805

4-(1,1,2,3,3,3-hexafluoropropoxy)aniline

Structural Information

Molecular Formula
C9H7F6NO
SMILES
C1=CC(=CC=C1N)OC(C(C(F)(F)F)F)(F)F
InChI
InChI=1S/C9H7F6NO/c10-7(8(11,12)13)9(14,15)17-6-3-1-5(16)2-4-6/h1-4,7H,16H2
InChIKey
NYNKODGXQLUBKF-UHFFFAOYSA-N
Compound name
4-(1,1,2,3,3,3-hexafluoropropoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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 148.0
[M+Na]+ 282.03240 156.4
[M-H]- 258.03590 143.7
[M+NH4]+ 277.07700 164.1
[M+K]+ 298.00634 153.3
[M+H-H2O]+ 242.04044 137.5
[M+HCOO]- 304.04138 162.5
[M+CH3COO]- 318.05703 196.6
[M+Na-2H]- 280.01785 151.3
[M]+ 259.04263 138.7
[M]- 259.04373 138.7
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