CID 84657897

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

Structural Information

Molecular Formula
C10H12FNO
SMILES
COC1=C2CCNCC2=C(C=C1)F
InChI
InChI=1S/C10H12FNO/c1-13-10-3-2-9(11)8-6-12-5-4-7(8)10/h2-3,12H,4-6H2,1H3
InChIKey
IDCHMKAAQHKBAF-UHFFFAOYSA-N
Compound name
8-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 136.6
[M+Na]+ 204.07951 144.5
[M-H]- 180.08301 136.9
[M+NH4]+ 199.12411 155.8
[M+K]+ 220.05345 140.9
[M+H-H2O]+ 164.08755 129.4
[M+HCOO]- 226.08849 154.2
[M+CH3COO]- 240.10414 179.4
[M+Na-2H]- 202.06496 143.0
[M]+ 181.08974 132.5
[M]- 181.09084 132.5
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.