CID 3051354

Phenethylamine, beta,4-dichloro-n,n-diethyl-, hydrochloride

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]+ 246.081076 154.4
[M+Na]+ 268.063018 161.7
[M-H]- 244.066524 158.3
[M+NH4]+ 263.107623 173.7
[M+K]+ 284.036958 157.2
[M+H-H2O]+ 228.071060 149.5
[M+HCOO]- 290.072001 168.8
[M+CH3COO]- 304.087651 199.0
[M+Na-2H]- 266.048466 157.3
[M]+ 245.07325142 158.8
[M]- 245.07434858 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.