CID 13852142

3,5-dichloro-4-(2-methoxyethoxy)aniline

Structural Information

Molecular Formula
C9H11Cl2NO2
SMILES
COCCOC1=C(C=C(C=C1Cl)N)Cl
InChI
InChI=1S/C9H11Cl2NO2/c1-13-2-3-14-9-7(10)4-6(12)5-8(9)11/h4-5H,2-3,12H2,1H3
InChIKey
RBKKLQWVSGXOOJ-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-(2-methoxyethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.01668 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.02396 146.0
[M+Na]+ 258.00590 156.4
[M-H]- 234.00940 149.1
[M+NH4]+ 253.05050 165.3
[M+K]+ 273.97984 151.7
[M+H-H2O]+ 218.01394 142.1
[M+HCOO]- 280.01488 161.7
[M+CH3COO]- 294.03053 191.4
[M+Na-2H]- 255.99135 150.1
[M]+ 235.01613 151.2
[M]- 235.01723 151.2
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

No patent data available for this compound.