CID 16244400

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

321
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

literature stripe

Patent stripe

patents stripe