CID 15270884

3,5-dichloro-4-ethoxyaniline

Structural Information

Molecular Formula
C8H9Cl2NO
SMILES
CCOC1=C(C=C(C=C1Cl)N)Cl
InChI
InChI=1S/C8H9Cl2NO/c1-2-12-8-6(9)3-5(11)4-7(8)10/h3-4H,2,11H2,1H3
InChIKey
JCYWFHRQFXSCCN-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-ethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

205.00612 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01340 137.7
[M+Na]+ 227.99534 152.2
[M+NH4]+ 223.03994 147.1
[M+K]+ 243.96928 144.6
[M-H]- 203.99884 140.6
[M+Na-2H]- 225.98079 144.9
[M]+ 205.00557 141.2
[M]- 205.00667 141.2
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

patents stripe