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]+ 208.033526 137.4
[M+Na]+ 230.015468 146.8
[M-H]- 206.018974 138.2
[M+NH4]+ 225.060073 156.9
[M+K]+ 245.989408 142.8
[M+H-H2O]+ 190.023510 130.9
[M+HCOO]- 252.024451 155.3
[M+CH3COO]- 266.040101 186.9
[M+Na-2H]- 228.000916 141.1
[M]+ 207.02570142 136.5
[M]- 207.02679858 136.5
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.