CID 69638

686-10-2

Structural Information

Molecular Formula
C6H10Cl3N
SMILES
CCN(CC)C(=C(Cl)Cl)Cl
InChI
InChI=1S/C6H10Cl3N/c1-3-10(4-2)6(9)5(7)8/h3-4H2,1-2H3
InChIKey
DVSJBCFGNHBBKG-UHFFFAOYSA-N
Compound name
1,2,2-trichloro-N,N-diethylethenamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

200.98788 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99516 140.0
[M+Na]+ 223.97710 147.5
[M-H]- 199.98060 140.0
[M+NH4]+ 219.02170 160.6
[M+K]+ 239.95104 143.6
[M+H-H2O]+ 183.98514 137.8
[M+HCOO]- 245.98608 148.6
[M+CH3COO]- 260.00173 189.8
[M+Na-2H]- 221.96255 141.8
[M]+ 200.98733 142.3
[M]- 200.98843 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe