CID 46901773

(3s)-6-fluoro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H10FNO2
SMILES
C1[C@H](NCC2=C1C=C(C=C2)F)C(=O)O
InChI
InChI=1S/C10H10FNO2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-3,9,12H,4-5H2,(H,13,14)/t9-/m0/s1
InChIKey
SRLSCFGRFIBSHD-VIFPVBQESA-N
Compound name
(3S)-6-fluoro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

195.06955 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07683 140.6
[M+Na]+ 218.05877 151.6
[M+NH4]+ 213.10337 147.9
[M+K]+ 234.03271 146.2
[M-H]- 194.06227 139.9
[M+Na-2H]- 216.04422 144.5
[M]+ 195.06900 141.6
[M]- 195.07010 141.6
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