CID 3039248

42739-82-2

Structural Information

Molecular Formula
C14H21Cl2NO
SMILES
CCN(CC)CC(C)C(C1=C(C=C(C=C1)Cl)Cl)O
InChI
InChI=1S/C14H21Cl2NO/c1-4-17(5-2)9-10(3)14(18)12-7-6-11(15)8-13(12)16/h6-8,10,14,18H,4-5,9H2,1-3H3
InChIKey
CGKJFNZOMCVZHH-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10728 165.5
[M+Na]+ 312.08922 172.2
[M-H]- 288.09272 168.2
[M+NH4]+ 307.13382 182.5
[M+K]+ 328.06316 167.4
[M+H-H2O]+ 272.09726 160.9
[M+HCOO]- 334.09820 177.2
[M+CH3COO]- 348.11385 206.2
[M+Na-2H]- 310.07467 165.1
[M]+ 289.09945 170.1
[M]- 289.10055 170.1
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.