CID 21532759

(2,3,6-trichlorophenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H6Cl3N
SMILES
C1=CC(=C(C(=C1Cl)CN)Cl)Cl
InChI
InChI=1S/C7H6Cl3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H,3,11H2
InChIKey
BQTDSTACPKSLCW-UHFFFAOYSA-N
Compound name
(2,3,6-trichlorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

208.95659 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.96387 138.0
[M+Na]+ 231.94581 153.2
[M+NH4]+ 226.99041 147.8
[M+K]+ 247.91975 144.8
[M-H]- 207.94931 141.0
[M+Na-2H]- 229.93126 145.6
[M]+ 208.95604 142.0
[M]- 208.95714 142.0
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