CID 63272497

8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H9BrFN
SMILES
C1CNCC2=C(C=CC(=C21)F)Br
InChI
InChI=1S/C9H9BrFN/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-2,12H,3-5H2
InChIKey
VVZOZQVEJFKOPE-UHFFFAOYSA-N
Compound name
8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

228.99023 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.997506 142.0
[M+Na]+ 251.979448 153.3
[M-H]- 227.982954 145.1
[M+NH4]+ 247.024053 162.9
[M+K]+ 267.953388 141.0
[M+H-H2O]+ 211.987490 141.5
[M+HCOO]- 273.988431 157.6
[M+CH3COO]- 288.004081 155.8
[M+Na-2H]- 249.964896 149.6
[M]+ 228.98968142 155.1
[M]- 228.99077858 155.1
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