CID 643223

3,5-dichloro-n,n-dimethylaniline

Structural Information

Molecular Formula
C8H9Cl2N
SMILES
CN(C)C1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C8H9Cl2N/c1-11(2)8-4-6(9)3-7(10)5-8/h3-5H,1-2H3
InChIKey
YJCNUSPWDQIVAI-UHFFFAOYSA-N
Compound name
3,5-dichloro-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

68
Patents

189.0112 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01848 135.1
[M+Na]+ 212.00042 150.3
[M+NH4]+ 207.04502 145.5
[M+K]+ 227.97436 142.2
[M-H]- 188.00392 139.0
[M+Na-2H]- 209.98587 143.7
[M]+ 189.01065 139.1
[M]- 189.01175 139.1
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