CID 6451466

1,1,2-trichloro-n,n-diethylethanamine

Structural Information

Molecular Formula
C6H12Cl3N
SMILES
CCN(CC)C(CCl)(Cl)Cl
InChI
InChI=1S/C6H12Cl3N/c1-3-10(4-2)6(8,9)5-7/h3-5H2,1-2H3
InChIKey
HXWGFDJJELILJP-UHFFFAOYSA-N
Compound name
1,1,2-trichloro-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

203.00352 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.010796 142.2
[M+Na]+ 225.992738 150.1
[M-H]- 201.996244 142.2
[M+NH4]+ 221.037343 162.8
[M+K]+ 241.966678 146.3
[M+H-H2O]+ 186.000780 139.9
[M+HCOO]- 248.001721 150.7
[M+CH3COO]- 262.017371 190.1
[M+Na-2H]- 223.978186 146.7
[M]+ 203.00297142 145.7
[M]- 203.00406858 145.7
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