CID 21480393

2418711-72-3

Structural Information

Molecular Formula
C7H6Cl3N
SMILES
CNC1=C(C=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C7H6Cl3N/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3
InChIKey
QHXFGOIOVYTMHQ-UHFFFAOYSA-N
Compound name
2,4,6-trichloro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

208.95659 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.96387 138.1
[M+Na]+ 231.94581 153.5
[M+NH4]+ 226.99041 148.0
[M+K]+ 247.91975 144.9
[M-H]- 207.94931 141.2
[M+Na-2H]- 229.93126 146.0
[M]+ 208.95604 142.1
[M]- 208.95714 142.1
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

patents stripe