CID 34239

3,3'-dichloro-4,4'-diaminodiphenyl ether

Structural Information

Molecular Formula
C12H10Cl2N2O
SMILES
C1=CC(=C(C=C1OC2=CC(=C(C=C2)N)Cl)Cl)N
InChI
InChI=1S/C12H10Cl2N2O/c13-9-5-7(1-3-11(9)15)17-8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
InChIKey
IVVWBIJMWBNKFV-UHFFFAOYSA-N
Compound name
4-(4-amino-3-chlorophenoxy)-2-chloroaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

840
Patents

268.01703 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.02431 157.0
[M+Na]+ 291.00625 167.6
[M-H]- 267.00975 162.8
[M+NH4]+ 286.05085 174.2
[M+K]+ 306.98019 160.9
[M+H-H2O]+ 251.01429 151.6
[M+HCOO]- 313.01523 173.3
[M+CH3COO]- 327.03088 199.5
[M+Na-2H]- 288.99170 160.4
[M]+ 268.01648 158.5
[M]- 268.01758 158.5
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