CID 15718724

6-fluoro-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H10FN
SMILES
C1CNCC2=C1C=C(C=C2)F
InChI
InChI=1S/C9H10FN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2
InChIKey
IGFFEMNFESMQQW-UHFFFAOYSA-N
Compound name
6-fluoro-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

387
Patents

151.07973 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08701 128.6
[M+Na]+ 174.06895 136.0
[M-H]- 150.07245 128.7
[M+NH4]+ 169.11355 148.8
[M+K]+ 190.04289 132.2
[M+H-H2O]+ 134.07699 121.5
[M+HCOO]- 196.07793 146.3
[M+CH3COO]- 210.09358 141.0
[M+Na-2H]- 172.05440 136.4
[M]+ 151.07918 122.3
[M]- 151.08028 122.3
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

patents stripe