CID 7023016

3-chloro-2,6-dimethylaniline

Structural Information

Molecular Formula
C8H10ClN
SMILES
CC1=C(C(=C(C=C1)Cl)C)N
InChI
InChI=1S/C8H10ClN/c1-5-3-4-7(9)6(2)8(5)10/h3-4H,10H2,1-2H3
InChIKey
FGMXFOTYCHZCLA-UHFFFAOYSA-N
Compound name
3-chloro-2,6-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

155.05017 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05745 129.4
[M+Na]+ 178.03939 140.1
[M-H]- 154.04289 133.5
[M+NH4]+ 173.08399 151.7
[M+K]+ 194.01333 136.0
[M+H-H2O]+ 138.04743 125.5
[M+HCOO]- 200.04837 150.1
[M+CH3COO]- 214.06402 179.7
[M+Na-2H]- 176.02484 134.8
[M]+ 155.04962 130.3
[M]- 155.05072 130.3
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