CID 23285

3-chloro-n,n-dimethylaniline

Structural Information

Molecular Formula
C8H10ClN
SMILES
CN(C)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKey
CHHCCYVOJBBCIY-UHFFFAOYSA-N
Compound name
3-chloro-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1157
Patents

155.05017 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05745 129.0
[M+Na]+ 178.03939 143.4
[M+NH4]+ 173.08399 139.5
[M+K]+ 194.01333 135.8
[M-H]- 154.04289 133.2
[M+Na-2H]- 176.02484 138.0
[M]+ 155.04962 132.7
[M]- 155.05072 132.7
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