CID 59486253

2,6-dichloro-3,5-dimethoxyaniline

Structural Information

Molecular Formula
C8H9Cl2NO2
SMILES
COC1=CC(=C(C(=C1Cl)N)Cl)OC
InChI
InChI=1S/C8H9Cl2NO2/c1-12-4-3-5(13-2)7(10)8(11)6(4)9/h3H,11H2,1-2H3
InChIKey
LCQFHEIDCMPNAN-UHFFFAOYSA-N
Compound name
2,6-dichloro-3,5-dimethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

221.00104 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.00832 141.1
[M+Na]+ 243.99026 152.8
[M-H]- 219.99376 144.7
[M+NH4]+ 239.03486 161.3
[M+K]+ 259.96420 148.4
[M+H-H2O]+ 203.99830 137.7
[M+HCOO]- 265.99924 157.1
[M+CH3COO]- 280.01489 189.7
[M+Na-2H]- 241.97571 145.0
[M]+ 221.00049 146.3
[M]- 221.00159 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe