CID 3051354

67428-84-6

Structural Information

Molecular Formula
C12H17Cl2N
SMILES
CCN(CC)CC(C1=CC=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H17Cl2N/c1-3-15(4-2)9-12(14)10-5-7-11(13)8-6-10/h5-8,12H,3-4,9H2,1-2H3
InChIKey
QKRDWMKYUGMFPD-UHFFFAOYSA-N
Compound name
2-chloro-2-(4-chlorophenyl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0738 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08108 154.4
[M+Na]+ 268.06302 161.7
[M-H]- 244.06652 158.3
[M+NH4]+ 263.10762 173.7
[M+K]+ 284.03696 157.2
[M+H-H2O]+ 228.07106 149.5
[M+HCOO]- 290.07200 168.8
[M+CH3COO]- 304.08765 199.0
[M+Na-2H]- 266.04847 157.3
[M]+ 245.07325 158.8
[M]- 245.07435 158.8
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

No patent data available for this compound.