CID 3050663

66902-80-5

Structural Information

Molecular Formula
C16H19ClNO
SMILES
C1=CC=C(C=C1)C[N+](CCCl)(CC2=CC=CC=C2)O
InChI
InChI=1S/C16H19ClNO/c17-11-12-18(19,13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,19H,11-14H2/q+1
InChIKey
BZCXWYQKDRUMRR-UHFFFAOYSA-N
Compound name
dibenzyl-(2-chloroethyl)-hydroxyazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1155 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.122776 163.7
[M+Na]+ 299.104718 169.3
[M-H]- 275.108224 169.6
[M+NH4]+ 294.149323 179.8
[M+K]+ 315.078658 158.3
[M+H-H2O]+ 259.112760 159.5
[M+HCOO]- 321.113701 181.8
[M+CH3COO]- 335.129351 192.5
[M+Na-2H]- 297.090166 173.2
[M]+ 276.11495142 164.2
[M]- 276.11604858 164.2
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.