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

366
Patents

151.07973 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.087006 128.6
[M+Na]+ 174.068948 136.0
[M-H]- 150.072454 128.7
[M+NH4]+ 169.113553 148.8
[M+K]+ 190.042888 132.2
[M+H-H2O]+ 134.076990 121.5
[M+HCOO]- 196.077931 146.3
[M+CH3COO]- 210.093581 141.0
[M+Na-2H]- 172.054396 136.4
[M]+ 151.07918142 122.3
[M]- 151.08027858 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