CID 120654

357-75-5

Structural Information

Molecular Formula
C16H18ClNO
SMILES
CN(C)CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C16H18ClNO/c1-18(2)12-16(19,13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-11,19H,12H2,1-2H3
InChIKey
UYDLYLSNPGXKMZ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(dimethylamino)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1077 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11498 163.1
[M+Na]+ 298.09692 169.9
[M-H]- 274.10042 169.6
[M+NH4]+ 293.14152 179.7
[M+K]+ 314.07086 165.1
[M+H-H2O]+ 258.10496 156.5
[M+HCOO]- 320.10590 181.0
[M+CH3COO]- 334.12155 201.0
[M+Na-2H]- 296.08237 168.8
[M]+ 275.10715 165.2
[M]- 275.10825 165.2
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.