CID 13305525

3-chloro-4-(2,2,2-trifluoroethoxy)aniline

Structural Information

Molecular Formula
C8H7ClF3NO
SMILES
C1=CC(=C(C=C1N)Cl)OCC(F)(F)F
InChI
InChI=1S/C8H7ClF3NO/c9-6-3-5(13)1-2-7(6)14-4-8(10,11)12/h1-3H,4,13H2
InChIKey
LLSUFBIBUWJAEH-UHFFFAOYSA-N
Compound name
3-chloro-4-(2,2,2-trifluoroethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

225.01683 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02411 143.0
[M+Na]+ 248.00605 152.5
[M+NH4]+ 243.05065 149.0
[M+K]+ 263.97999 147.2
[M-H]- 224.00955 140.6
[M+Na-2H]- 245.99150 147.5
[M]+ 225.01628 143.6
[M]- 225.01738 143.6
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

patents stripe