CID 130001183

2243503-43-5

Structural Information

Molecular Formula
C10H10FNO2
SMILES
C1C(NCC2=C1C(=CC=C2)F)C(=O)O
InChI
InChI=1S/C10H10FNO2/c11-8-3-1-2-6-5-12-9(10(13)14)4-7(6)8/h1-3,9,12H,4-5H2,(H,13,14)
InChIKey
ZRKIONVKOBMQQO-UHFFFAOYSA-N
Compound name
5-fluoro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 139.1
[M+Na]+ 218.05877 146.5
[M-H]- 194.06227 138.0
[M+NH4]+ 213.10337 156.8
[M+K]+ 234.03271 142.5
[M+H-H2O]+ 178.06681 132.2
[M+HCOO]- 240.06775 154.5
[M+CH3COO]- 254.08340 179.0
[M+Na-2H]- 216.04422 143.9
[M]+ 195.06900 133.3
[M]- 195.07010 133.3
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

No patent data available for this compound.