CID 625760

3,5-bis(2,2,2-trifluoroethoxy)aniline hydrochloride

Structural Information

Molecular Formula
C10H9F6NO2
SMILES
C1=C(C=C(C=C1OCC(F)(F)F)OCC(F)(F)F)N
InChI
InChI=1S/C10H9F6NO2/c11-9(12,13)4-18-7-1-6(17)2-8(3-7)19-5-10(14,15)16/h1-3H,4-5,17H2
InChIKey
OSOJQURMIYYFAY-UHFFFAOYSA-N
Compound name
3,5-bis(2,2,2-trifluoroethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

289.05374 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06102 156.3
[M+Na]+ 312.04296 165.4
[M-H]- 288.04646 152.0
[M+NH4]+ 307.08756 171.5
[M+K]+ 328.01690 162.1
[M+H-H2O]+ 272.05100 145.4
[M+HCOO]- 334.05194 171.5
[M+CH3COO]- 348.06759 201.3
[M+Na-2H]- 310.02841 159.6
[M]+ 289.05319 149.6
[M]- 289.05429 149.6
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.