CID 82279773

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

Structural Information

Molecular Formula
C10H12FNO
SMILES
COC1=C2CNCCC2=C(C=C1)F
InChI
InChI=1S/C10H12FNO/c1-13-10-3-2-9(11)7-4-5-12-6-8(7)10/h2-3,12H,4-6H2,1H3
InChIKey
MVDCREAXVBZKJL-UHFFFAOYSA-N
Compound name
5-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

181.09029 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09757 137.9
[M+Na]+ 204.07951 150.3
[M+NH4]+ 199.12411 146.6
[M+K]+ 220.05345 143.3
[M-H]- 180.08301 138.8
[M+Na-2H]- 202.06496 143.4
[M]+ 181.08974 139.8
[M]- 181.09084 139.8
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