CID 92601

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

Structural Information

Molecular Formula
C12H9Cl2NO
SMILES
C1=CC=C(C(=C1)OC2=C(C=C(C=C2)Cl)N)Cl
InChI
InChI=1S/C12H9Cl2NO/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7H,15H2
InChIKey
PHORTNLNXNZNET-UHFFFAOYSA-N
Compound name
5-chloro-2-(2-chlorophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

253.00612 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.013396 151.3
[M+Na]+ 275.995338 162.0
[M-H]- 251.998844 157.4
[M+NH4]+ 271.039943 169.6
[M+K]+ 291.969278 155.5
[M+H-H2O]+ 236.003380 146.0
[M+HCOO]- 298.004321 167.3
[M+CH3COO]- 312.019971 194.0
[M+Na-2H]- 273.980786 156.3
[M]+ 253.00557142 154.1
[M]- 253.00666858 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