CID 83371375

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

Structural Information

Molecular Formula
C10H11ClFN
SMILES
CC1C2=C(CCN1)C(=CC(=C2)F)Cl
InChI
InChI=1S/C10H11ClFN/c1-6-9-4-7(12)5-10(11)8(9)2-3-13-6/h4-6,13H,2-3H2,1H3
InChIKey
UYBDSIYEBAJDMP-UHFFFAOYSA-N
Compound name
5-chloro-7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.05641 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06369 139.0
[M+Na]+ 222.04563 148.7
[M-H]- 198.04913 139.4
[M+NH4]+ 217.09023 158.7
[M+K]+ 238.01957 142.8
[M+H-H2O]+ 182.05367 132.9
[M+HCOO]- 244.05461 151.8
[M+CH3COO]- 258.07026 151.3
[M+Na-2H]- 220.03108 144.3
[M]+ 199.05586 135.9
[M]- 199.05696 135.9
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.