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]+ 244.01317 146.5
[M+Na]+ 265.99511 158.2
[M-H]- 241.99861 149.8
[M+NH4]+ 261.03971 167.2
[M+K]+ 281.96905 145.7
[M+H-H2O]+ 226.00315 145.9
[M+HCOO]- 288.00409 161.7
[M+CH3COO]- 302.01974 160.2
[M+Na-2H]- 263.98056 152.9
[M]+ 243.00534 160.3
[M]- 243.00644 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.