CID 145867401

2375274-43-2

Structural Information

Molecular Formula
C11H12BrN
SMILES
C1C2CC1C3=C(C=C(C=C3)Br)NC2
InChI
InChI=1S/C11H12BrN/c12-9-1-2-10-8-3-7(4-8)6-13-11(10)5-9/h1-2,5,7-8,13H,3-4,6H2
InChIKey
VHQRHOOTWCMGGE-UHFFFAOYSA-N
Compound name
5-bromo-8-azatricyclo[8.1.1.02,7]dodeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0153 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02258 134.0
[M+Na]+ 260.00452 132.3
[M+NH4]+ 255.04912 136.6
[M+K]+ 275.97846 135.0
[M-H]- 236.00802 131.1
[M+Na-2H]- 257.98997 132.8
[M]+ 237.01475 131.5
[M]- 237.01585 131.5
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.