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 138.9
[M+Na]+ 227.99534 149.8
[M-H]- 203.99884 142.1
[M+NH4]+ 223.03994 159.4
[M+K]+ 243.96928 144.7
[M+H-H2O]+ 188.00338 135.4
[M+HCOO]- 250.00432 154.7
[M+CH3COO]- 264.01997 186.5
[M+Na-2H]- 225.98079 143.4
[M]+ 205.00557 142.2
[M]- 205.00667 142.2
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