CID 12148829

321435-99-8

Structural Information

Molecular Formula
C10H12BrN
SMILES
C1CCNC2=C(C1)C=C(C=C2)Br
InChI
InChI=1S/C10H12BrN/c11-9-4-5-10-8(7-9)3-1-2-6-12-10/h4-5,7,12H,1-3,6H2
InChIKey
RFJIXWJKZNGFLA-UHFFFAOYSA-N
Compound name
7-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

225.0153 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 136.9
[M+Na]+ 248.00452 139.4
[M+NH4]+ 243.04912 142.3
[M+K]+ 263.97846 139.6
[M-H]- 224.00802 137.8
[M+Na-2H]- 245.98997 140.6
[M]+ 225.01475 136.4
[M]- 225.01585 136.4
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

patents stripe