CID 5122

5-fluoro-8-hydroxy-2-(dipropylamino)tetralin

Structural Information

Molecular Formula
C16H24FNO
SMILES
CCCN(CCC)C1CCC2=C(C=CC(=C2C1)O)F
InChI
InChI=1S/C16H24FNO/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)16(19)8-7-15(13)17/h7-8,12,19H,3-6,9-11H2,1-2H3
InChIKey
FNKBVTBXFLSTPB-UHFFFAOYSA-N
Compound name
7-(dipropylamino)-4-fluoro-5,6,7,8-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

56
References

242
Patents

265.1842 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.191476 163.3
[M+Na]+ 288.173418 168.6
[M-H]- 264.176924 165.6
[M+NH4]+ 283.218023 181.0
[M+K]+ 304.147358 165.2
[M+H-H2O]+ 248.181460 155.5
[M+HCOO]- 310.182401 181.5
[M+CH3COO]- 324.198051 204.4
[M+Na-2H]- 286.158866 165.3
[M]+ 265.18365142 161.6
[M]- 265.18474858 161.6
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