CID 121396840

Methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H12FNO2
SMILES
COC(=O)C1=C(C=CC2=C1CNCC2)F
InChI
InChI=1S/C11H12FNO2/c1-15-11(14)10-8-6-13-5-4-7(8)2-3-9(10)12/h2-3,13H,4-6H2,1H3
InChIKey
AXXVEPGWWKFZDO-UHFFFAOYSA-N
Compound name
methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

209.0852 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09248 143.4
[M+Na]+ 232.07442 150.9
[M-H]- 208.07792 143.7
[M+NH4]+ 227.11902 161.4
[M+K]+ 248.04836 147.6
[M+H-H2O]+ 192.08246 136.1
[M+HCOO]- 254.08340 160.1
[M+CH3COO]- 268.09905 183.9
[M+Na-2H]- 230.05987 148.2
[M]+ 209.08465 139.7
[M]- 209.08575 139.7
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