CID 13865046

5-bromo-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C9H10BrN
SMILES
C1CC2=C(C=CC=C2Br)NC1
InChI
InChI=1S/C9H10BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5,11H,2-3,6H2
InChIKey
WTZQIKXLRRDMCP-UHFFFAOYSA-N
Compound name
5-bromo-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

210.99966 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.006936 138.1
[M+Na]+ 233.988878 148.4
[M-H]- 209.992384 142.2
[M+NH4]+ 229.033483 159.5
[M+K]+ 249.962818 136.7
[M+H-H2O]+ 193.996920 138.4
[M+HCOO]- 255.997861 154.7
[M+CH3COO]- 270.013511 152.2
[M+Na-2H]- 231.974326 147.1
[M]+ 210.99911142 151.9
[M]- 211.00020858 151.9
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

patents stripe