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

50
Patents

208.95659 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.963866 138.1
[M+Na]+ 231.945808 149.1
[M-H]- 207.949314 140.4
[M+NH4]+ 226.990413 158.4
[M+K]+ 247.919748 143.2
[M+H-H2O]+ 191.953850 135.4
[M+HCOO]- 253.954791 148.8
[M+CH3COO]- 267.970441 187.7
[M+Na-2H]- 229.931256 142.9
[M]+ 208.95604142 140.5
[M]- 208.95713858 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