CID 5463763

3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline

Structural Information

Molecular Formula
C8H5Cl2F4NO
SMILES
C1=C(C=C(C(=C1Cl)OC(C(F)F)(F)F)Cl)N
InChI
InChI=1S/C8H5Cl2F4NO/c9-4-1-3(15)2-5(10)6(4)16-8(13,14)7(11)12/h1-2,7H,15H2
InChIKey
JIPDPVQPKLVDIU-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

30
Patents

276.96844 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.975716 146.1
[M+Na]+ 299.957658 157.3
[M-H]- 275.961164 144.2
[M+NH4]+ 295.002263 163.4
[M+K]+ 315.931598 151.4
[M+H-H2O]+ 259.965700 139.3
[M+HCOO]- 321.966641 155.4
[M+CH3COO]- 335.982291 198.6
[M+Na-2H]- 297.943106 148.1
[M]+ 276.96789142 144.0
[M]- 276.96898858 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe