CID 67677

2-(4-chlorophenoxy)-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C13H9ClF3NO
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2)C(F)(F)F)N)Cl
InChI
InChI=1S/C13H9ClF3NO/c14-9-2-4-10(5-3-9)19-12-6-1-8(7-11(12)18)13(15,16)17/h1-7H,18H2
InChIKey
NOJRAHDRZWZNMV-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

104
Patents

287.03247 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.03975 157.9
[M+Na]+ 310.02169 168.4
[M-H]- 286.02519 160.8
[M+NH4]+ 305.06629 174.3
[M+K]+ 325.99563 162.1
[M+H-H2O]+ 270.02973 149.2
[M+HCOO]- 332.03067 173.9
[M+CH3COO]- 346.04632 200.3
[M+Na-2H]- 308.00714 162.1
[M]+ 287.03192 156.0
[M]- 287.03302 156.0
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