CID 21480393

2,4,6-trichloro-n-methylaniline hydrochloride

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 149.1
[M-H]- 207.94931 140.4
[M+NH4]+ 226.99041 158.4
[M+K]+ 247.91975 143.2
[M+H-H2O]+ 191.95385 135.4
[M+HCOO]- 253.95479 148.8
[M+CH3COO]- 267.97044 187.7
[M+Na-2H]- 229.93126 142.9
[M]+ 208.95604 140.5
[M]- 208.95714 140.5
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