CID 12647573

8-fluoro-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C9H10FN
SMILES
C1CC2=C(C(=CC=C2)F)NC1
InChI
InChI=1S/C9H10FN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,11H,2,4,6H2
InChIKey
WJHPXUGHFGUTHI-UHFFFAOYSA-N
Compound name
8-fluoro-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

151.07973 Da
Monoisotopic Mass

2.4
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