CID 68391380

7-fluoro-2-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol

Structural Information

Molecular Formula
C10H12FNO
SMILES
CN1CCC2=CC(=C(C=C2C1)F)O
InChI
InChI=1S/C10H12FNO/c1-12-3-2-7-5-10(13)9(11)4-8(7)6-12/h4-5,13H,2-3,6H2,1H3
InChIKey
JBLMCJQZTLWWGX-UHFFFAOYSA-N
Compound name
7-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

181.09029 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09757 136.5
[M+Na]+ 204.07951 145.4
[M-H]- 180.08301 137.3
[M+NH4]+ 199.12411 156.1
[M+K]+ 220.05345 141.9
[M+H-H2O]+ 164.08755 129.6
[M+HCOO]- 226.08849 154.1
[M+CH3COO]- 240.10414 180.6
[M+Na-2H]- 202.06496 142.3
[M]+ 181.08974 132.9
[M]- 181.09084 132.9
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