CID 83372847

5-bromo-7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C10H11BrFN
SMILES
CC1C2=C(CCN1)C(=CC(=C2)F)Br
InChI
InChI=1S/C10H11BrFN/c1-6-9-4-7(12)5-10(11)8(9)2-3-13-6/h4-6,13H,2-3H2,1H3
InChIKey
LFMGHHRTGLLICO-UHFFFAOYSA-N
Compound name
5-bromo-7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.00589 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.013166 146.5
[M+Na]+ 265.995108 158.2
[M-H]- 241.998614 149.8
[M+NH4]+ 261.039713 167.2
[M+K]+ 281.969048 145.7
[M+H-H2O]+ 226.003150 145.9
[M+HCOO]- 288.004091 161.7
[M+CH3COO]- 302.019741 160.2
[M+Na-2H]- 263.980556 152.9
[M]+ 243.00534142 160.3
[M]- 243.00643858 160.3
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.