CID 82005330

3-chloro-2-(2,2-difluoroethoxy)aniline

Structural Information

Molecular Formula
C8H8ClF2NO
SMILES
C1=CC(=C(C(=C1)Cl)OCC(F)F)N
InChI
InChI=1S/C8H8ClF2NO/c9-5-2-1-3-6(12)8(5)13-4-7(10)11/h1-3,7H,4,12H2
InChIKey
YCFWATPGERLKQG-UHFFFAOYSA-N
Compound name
3-chloro-2-(2,2-difluoroethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.02625 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03353 137.2
[M+Na]+ 230.01547 148.2
[M+NH4]+ 225.06007 144.6
[M+K]+ 245.98941 142.3
[M-H]- 206.01897 136.8
[M+Na-2H]- 228.00092 142.7
[M]+ 207.02570 138.7
[M]- 207.02680 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

No patent data available for this compound.