CID 10106325

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.00612 Da
Monoisotopic Mass

4.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.