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]+ 277.12278 163.7
[M+Na]+ 299.10472 169.3
[M-H]- 275.10822 169.6
[M+NH4]+ 294.14932 179.8
[M+K]+ 315.07866 158.3
[M+H-H2O]+ 259.11276 159.5
[M+HCOO]- 321.11370 181.8
[M+CH3COO]- 335.12935 192.5
[M+Na-2H]- 297.09017 173.2
[M]+ 276.11495 164.2
[M]- 276.11605 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.