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 143.3
[M+Na]+ 242.01099 152.8
[M-H]- 218.01449 146.4
[M+NH4]+ 237.05559 163.2
[M+K]+ 257.98493 147.8
[M+H-H2O]+ 202.01903 139.2
[M+HCOO]- 264.01997 159.3
[M+CH3COO]- 278.03562 188.9
[M+Na-2H]- 239.99644 149.0
[M]+ 219.02122 147.6
[M]- 219.02232 147.6
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.