CID 155822551

2503203-55-0

Structural Information

Molecular Formula
C9H8BrClFN
SMILES
C1CNCC2=C1C(=C(C=C2F)Br)Cl
InChI
InChI=1S/C9H8BrClFN/c10-7-3-8(12)6-4-13-2-1-5(6)9(7)11/h3,13H,1-2,4H2
InChIKey
FVDVFLPLEFXNTE-UHFFFAOYSA-N
Compound name
6-bromo-5-chloro-8-fluoro-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.95126 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.95854 146.3
[M+Na]+ 285.94048 159.4
[M-H]- 261.94398 149.6
[M+NH4]+ 280.98508 167.1
[M+K]+ 301.91442 145.3
[M+H-H2O]+ 245.94852 146.6
[M+HCOO]- 307.94946 157.5
[M+CH3COO]- 321.96511 160.1
[M+Na-2H]- 283.92593 153.0
[M]+ 262.95071 161.6
[M]- 262.95181 161.6
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.