CID 67135

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

Structural Information

Molecular Formula
C12H9Cl2NO
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)N)Cl
InChI
InChI=1S/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,15H2
InChIKey
WLJSUJOESWTGEX-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-chlorophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

122
Patents

253.00612 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01340 151.3
[M+Na]+ 275.99534 162.0
[M-H]- 251.99884 157.4
[M+NH4]+ 271.03994 169.6
[M+K]+ 291.96928 155.5
[M+H-H2O]+ 236.00338 146.0
[M+HCOO]- 298.00432 167.3
[M+CH3COO]- 312.01997 194.0
[M+Na-2H]- 273.98079 156.3
[M]+ 253.00557 154.1
[M]- 253.00667 154.1
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