CID 28576179

3,5-dichloro-n-(2-methoxyethyl)aniline

Structural Information

Molecular Formula
C9H11Cl2NO
SMILES
COCCNC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C9H11Cl2NO/c1-13-3-2-12-9-5-7(10)4-8(11)6-9/h4-6,12H,2-3H2,1H3
InChIKey
SMSVBFIARKGOBX-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-(2-methoxyethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.02177 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.02905 142.4
[M+Na]+ 242.01099 156.7
[M+NH4]+ 237.05559 151.8
[M+K]+ 257.98493 148.4
[M-H]- 218.01449 145.4
[M+Na-2H]- 239.99644 150.0
[M]+ 219.02122 145.9
[M]- 219.02232 145.9
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.