CID 292544

4-(2-chloro-1,1,2-trifluoroethoxy)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

225.01683 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02411 142.6
[M+Na]+ 248.00605 151.5
[M+NH4]+ 243.05065 148.6
[M+K]+ 263.97999 146.8
[M-H]- 224.00955 140.0
[M+Na-2H]- 245.99150 147.1
[M]+ 225.01628 143.1
[M]- 225.01738 143.1
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