CID 7578

4-(4-chlorophenoxy)aniline

Structural Information

Molecular Formula
C12H10ClNO
SMILES
C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKey
YTISFYMPVILQRL-UHFFFAOYSA-N
Compound name
4-(4-chlorophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

705
Patents

219.04509 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05237 145.0
[M+Na]+ 242.03431 161.1
[M+NH4]+ 237.07891 155.1
[M+K]+ 258.00825 152.3
[M-H]- 218.03781 151.0
[M+Na-2H]- 240.01976 155.8
[M]+ 219.04454 149.5
[M]- 219.04564 149.5
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