CID 208360

Brn 0806490

Structural Information

Molecular Formula
C19H13ClN2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C19H13ClN2/c20-14-10-11-16-15(12-14)19(13-6-2-1-3-7-13)22-18-9-5-4-8-17(18)21-16/h1-12,21H
InChIKey
OCQQMJMSLXJISX-UHFFFAOYSA-N
Compound name
8-chloro-6-phenyl-11H-benzo[b][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.07672 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08400 170.6
[M+Na]+ 327.06594 187.6
[M+NH4]+ 322.11054 180.0
[M+K]+ 343.03988 178.1
[M-H]- 303.06944 176.1
[M+Na-2H]- 325.05139 180.6
[M]+ 304.07617 175.3
[M]- 304.07727 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.