CID 57880511

6,7-difluoro-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1CNCC2=CC(=C(C=C21)F)F
InChI
InChI=1S/C9H9F2N/c10-8-3-6-1-2-12-5-7(6)4-9(8)11/h3-4,12H,1-2,5H2
InChIKey
YJAKFAUAMXMLPT-UHFFFAOYSA-N
Compound name
6,7-difluoro-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

169.07031 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.077586 131.5
[M+Na]+ 192.059528 139.9
[M-H]- 168.063034 130.5
[M+NH4]+ 187.104133 151.2
[M+K]+ 208.033468 135.6
[M+H-H2O]+ 152.067570 123.7
[M+HCOO]- 214.068511 148.1
[M+CH3COO]- 228.084161 143.6
[M+Na-2H]- 190.044976 137.9
[M]+ 169.06976142 124.4
[M]- 169.07085858 124.4
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