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

15
Patents

169.07031 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07759 131.5
[M+Na]+ 192.05953 139.9
[M-H]- 168.06303 130.5
[M+NH4]+ 187.10413 151.2
[M+K]+ 208.03347 135.6
[M+H-H2O]+ 152.06757 123.7
[M+HCOO]- 214.06851 148.1
[M+CH3COO]- 228.08416 143.6
[M+Na-2H]- 190.04498 137.9
[M]+ 169.06976 124.4
[M]- 169.07086 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