CID 122200669

7-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H9ClFN
SMILES
C1CNCC2=C1C(=CC(=C2)Cl)F
InChI
InChI=1S/C9H9ClFN/c10-7-3-6-5-12-2-1-8(6)9(11)4-7/h3-4,12H,1-2,5H2
InChIKey
TXBTXBGYLPOFKM-UHFFFAOYSA-N
Compound name
7-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.04076 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.04804 134.3
[M+Na]+ 208.02998 143.4
[M-H]- 184.03348 134.5
[M+NH4]+ 203.07458 154.3
[M+K]+ 224.00392 137.8
[M+H-H2O]+ 168.03802 128.1
[M+HCOO]- 230.03896 147.4
[M+CH3COO]- 244.05461 146.7
[M+Na-2H]- 206.01543 140.9
[M]+ 185.04021 130.4
[M]- 185.04131 130.4
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

No patent data available for this compound.