CID 205513

Dibenz(c,f)azocine, 6-(2-chloroethyl)-5,6,7,12-tetrahydro-, hydrochloride

Structural Information

Molecular Formula
C17H18ClN
SMILES
C1C2=CC=CC=C2CN(CC3=CC=CC=C31)CCCl
InChI
InChI=1S/C17H18ClN/c18-9-10-19-12-16-7-3-1-5-14(16)11-15-6-2-4-8-17(15)13-19/h1-8H,9-13H2
InChIKey
SGZCXVJXLNSVPD-UHFFFAOYSA-N
Compound name
11-(2-chloroethyl)-10,12-dihydro-5H-benzo[d][2]benzazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.11276 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12004 163.8
[M+Na]+ 294.10198 169.1
[M-H]- 270.10548 165.3
[M+NH4]+ 289.14658 171.8
[M+K]+ 310.07592 166.8
[M+H-H2O]+ 254.11002 159.2
[M+HCOO]- 316.11096 169.8
[M+CH3COO]- 330.12661 167.9
[M+Na-2H]- 292.08743 164.3
[M]+ 271.11221 163.8
[M]- 271.11331 163.8
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.