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

33
Patents

181.09029 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.097566 136.6
[M+Na]+ 204.079508 144.5
[M-H]- 180.083014 136.9
[M+NH4]+ 199.124113 155.8
[M+K]+ 220.053448 140.9
[M+H-H2O]+ 164.087550 129.4
[M+HCOO]- 226.088491 154.2
[M+CH3COO]- 240.104141 179.4
[M+Na-2H]- 202.064956 143.0
[M]+ 181.08974142 132.5
[M]- 181.09083858 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

patents stripe